 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_B3LYPDBJ_augccpVDZ.in
 Output=30_ibuprofen_conformer05_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-35322.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     35334.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer05_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0630740026 Hartrees.
 Nuclear repulsion after empirical dispersion term =      981.2879454708 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.81D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:              10.3 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.841125463975    
 DIIS: error= 2.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.841125463975     IErMin= 1 ErrMin= 2.09D-03
 ErrMax= 2.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.04D-03 BMatP= 7.04D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.91D-02 MaxDP=6.75D+00              OVMax= 1.44D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.39D-02    CP:  1.87D+00
 E= -656.846876234864     Delta-E=       -0.005750770889 Rises=F Damp=F
 DIIS: error= 2.58D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.846876234864     IErMin= 2 ErrMin= 2.58D-04
 ErrMax= 2.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-04 BMatP= 7.04D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.58D-03
 Coeff-Com:  0.113D-01 0.989D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.113D-01 0.989D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.26D-03 MaxDP=2.64D-01 DE=-5.75D-03 OVMax= 4.01D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.37D-04    CP:  1.89D+00  1.04D+00
 E= -656.846783107673     Delta-E=        0.000093127192 Rises=F Damp=F
 DIIS: error= 4.06D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.846876234864     IErMin= 2 ErrMin= 2.58D-04
 ErrMax= 4.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-04 BMatP= 1.14D-04
 IDIUse=3 WtCom= 3.32D-01 WtEn= 6.68D-01
 Coeff-Com: -0.791D-02 0.604D+00 0.404D+00
 Coeff-En:   0.000D+00 0.648D+00 0.352D+00
 Coeff:     -0.262D-02 0.634D+00 0.369D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.35D-04 MaxDP=7.00D-03 DE= 9.31D-05 OVMax= 2.66D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.30D-05    CP:  1.89D+00  1.04D+00  9.08D-01
 E= -656.846971994250     Delta-E=       -0.000188886577 Rises=F Damp=F
 DIIS: error= 3.95D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.846971994250     IErMin= 4 ErrMin= 3.95D-05
 ErrMax= 3.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-06 BMatP= 1.14D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.487D-02 0.257D+00 0.162D+00 0.586D+00
 Coeff:     -0.487D-02 0.257D+00 0.162D+00 0.586D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=5.83D-05 MaxDP=4.40D-03 DE=-1.89D-04 OVMax= 7.22D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.66D-05    CP:  1.89D+00  1.04D+00  8.88D-01  1.20D+00
 E= -656.846973765562     Delta-E=       -0.000001771312 Rises=F Damp=F
 DIIS: error= 3.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.846973765562     IErMin= 5 ErrMin= 3.22D-05
 ErrMax= 3.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-06 BMatP= 3.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.177D-02 0.525D-01 0.310D-01 0.406D+00 0.513D+00
 Coeff:     -0.177D-02 0.525D-01 0.310D-01 0.406D+00 0.513D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.13D-05 MaxDP=1.94D-03 DE=-1.77D-06 OVMax= 3.80D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.81D-06    CP:  1.89D+00  1.04D+00  8.89D-01  1.22D+00  9.91D-01
 E= -656.846975045820     Delta-E=       -0.000001280258 Rises=F Damp=F
 DIIS: error= 6.10D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.846975045820     IErMin= 6 ErrMin= 6.10D-06
 ErrMax= 6.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.60D-08 BMatP= 1.72D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.539D-03 0.768D-02 0.460D-02 0.181D+00 0.288D+00 0.520D+00
 Coeff:     -0.539D-03 0.768D-02 0.460D-02 0.181D+00 0.288D+00 0.520D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.79D-06 MaxDP=3.26D-04 DE=-1.28D-06 OVMax= 6.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.33D-06    CP:  1.90D+00  1.04D+00  8.93D-01  1.21D+00  9.46D-01
                    CP:  1.08D+00
 E= -656.846975128152     Delta-E=       -0.000000082332 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.846975128152     IErMin= 7 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-09 BMatP= 9.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.880D-04-0.132D-02-0.469D-03 0.426D-01 0.801D-01 0.234D+00
 Coeff-Com:  0.645D+00
 Coeff:     -0.880D-04-0.132D-02-0.469D-03 0.426D-01 0.801D-01 0.234D+00
 Coeff:      0.645D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.48D-06 MaxDP=8.05D-05 DE=-8.23D-08 OVMax= 2.73D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.90D+00  1.04D+00  8.94D-01  1.21D+00  9.50D-01
                    CP:  1.06D+00  7.75D-01
 E= -656.846975132138     Delta-E=       -0.000000003985 Rises=F Damp=F
 DIIS: error= 5.74D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.846975132138     IErMin= 8 ErrMin= 5.74D-07
 ErrMax= 5.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-10 BMatP= 4.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-04-0.111D-02-0.459D-03 0.114D-01 0.247D-01 0.921D-01
 Coeff-Com:  0.350D+00 0.524D+00
 Coeff:     -0.155D-04-0.111D-02-0.459D-03 0.114D-01 0.247D-01 0.921D-01
 Coeff:      0.350D+00 0.524D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.95D-07 MaxDP=2.96D-05 DE=-3.99D-09 OVMax= 1.42D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.54D-07    CP:  1.90D+00  1.04D+00  8.94D-01  1.21D+00  9.52D-01
                    CP:  1.05D+00  8.22D-01  8.06D-01
 E= -656.846975132750     Delta-E=       -0.000000000612 Rises=F Damp=F
 DIIS: error= 2.28D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.846975132750     IErMin= 9 ErrMin= 2.28D-07
 ErrMax= 2.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-10 BMatP= 6.71D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.388D-05-0.477D-03-0.205D-03 0.899D-03 0.370D-02 0.228D-01
 Coeff-Com:  0.119D+00 0.322D+00 0.532D+00
 Coeff:      0.388D-05-0.477D-03-0.205D-03 0.899D-03 0.370D-02 0.228D-01
 Coeff:      0.119D+00 0.322D+00 0.532D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.63D-07 MaxDP=8.99D-06 DE=-6.12D-10 OVMax= 5.24D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.09D-07    CP:  1.90D+00  1.04D+00  8.94D-01  1.21D+00  9.51D-01
                    CP:  1.05D+00  8.05D-01  8.42D-01  8.23D-01
 E= -656.846975132765     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 6.36D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.846975132765     IErMin=10 ErrMin= 6.36D-08
 ErrMax= 6.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.96D-12 BMatP= 1.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.358D-05-0.179D-03-0.738D-04-0.503D-03 0.162D-05 0.506D-02
 Coeff-Com:  0.371D-01 0.134D+00 0.293D+00 0.531D+00
 Coeff:      0.358D-05-0.179D-03-0.738D-04-0.503D-03 0.162D-05 0.506D-02
 Coeff:      0.371D-01 0.134D+00 0.293D+00 0.531D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=5.84D-08 MaxDP=5.19D-06 DE=-1.50D-11 OVMax= 1.06D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.08D-08    CP:  1.90D+00  1.04D+00  8.94D-01  1.21D+00  9.52D-01
                    CP:  1.05D+00  8.07D-01  8.47D-01  8.53D-01  8.95D-01
 E= -656.846975132849     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 1.17D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.846975132849     IErMin=11 ErrMin= 1.17D-08
 ErrMax= 1.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-13 BMatP= 7.96D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-05-0.426D-04-0.147D-04-0.320D-03-0.285D-03 0.493D-03
 Coeff-Com:  0.778D-02 0.353D-01 0.917D-01 0.246D+00 0.620D+00
 Coeff:      0.125D-05-0.426D-04-0.147D-04-0.320D-03-0.285D-03 0.493D-03
 Coeff:      0.778D-02 0.353D-01 0.917D-01 0.246D+00 0.620D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.67D-08 MaxDP=1.61D-06 DE=-8.41D-11 OVMax= 3.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.09D-08    CP:  1.90D+00  1.04D+00  8.94D-01  1.21D+00  9.52D-01
                    CP:  1.05D+00  8.06D-01  8.50D-01  8.57D-01  9.04D-01
                    CP:  8.77D-01
 E= -656.846975132770     Delta-E=        0.000000000079 Rises=F Damp=F
 DIIS: error= 8.59D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.846975132849     IErMin=12 ErrMin= 8.59D-09
 ErrMax= 8.59D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-13 BMatP= 4.27D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.341D-06-0.552D-05 0.120D-06-0.138D-03-0.164D-03-0.281D-03
 Coeff-Com:  0.493D-03 0.555D-02 0.214D-01 0.857D-01 0.384D+00 0.503D+00
 Coeff:      0.341D-06-0.552D-05 0.120D-06-0.138D-03-0.164D-03-0.281D-03
 Coeff:      0.493D-03 0.555D-02 0.214D-01 0.857D-01 0.384D+00 0.503D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=5.98D-09 MaxDP=3.22D-07 DE= 7.87D-11 OVMax= 1.67D-07

 SCF Done:  E(RB3LYP) =  -656.846975133     A.U. after   12 cycles
            NFock= 12  Conv=0.60D-08     -V/T= 2.0060
 KE= 6.529532950921D+02 PE=-3.490037905737D+03 EE= 1.198949690041D+03
 Leave Link  502 at Wed Sep  8 12:42:30 2021, MaxMem=  6442450944 cpu:            6121.7 elap:             765.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.11844265D+03

 Leave Link  801 at Wed Sep  8 12:42:30 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 5.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 4.44D-01 1.58D-01.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 9.91D-02 9.90D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 9.58D-03 2.48D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 2.86D-03 1.60D-02.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 2.82D-04 3.36D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 1.24D-05 6.69D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 3.69D-07 8.36D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.10D-08 1.62D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 2.79D-10 3.25D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 4.47D-12 3.71D-07.
      4 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.56D-13 5.81D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 3.09D-14 9.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   124 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.219986D+03
      2  0.628452D+01  0.156450D+03
      3  0.780026D+01 -0.858372D+01  0.141609D+03
 Isotropic polarizability for W=    0.088559      172.68 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.194989D+03  0.209288D+02 -0.468684D+02
      2   0.837654D+02 -0.232632D+02 -0.111946D+01
      3   0.111224D+03  0.233440D+01  0.479879D+02
      4   0.290978D+02 -0.111867D+03  0.308113D+02
      5   0.122652D+02  0.335754D+02 -0.956059D+02
      6   0.812145D+01  0.239360D+02  0.269829D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.761554D+01  0.415360D+01 -0.976279D-01
      2  -0.119868D+02  0.107905D+02 -0.502672D+02
      3  -0.372707D+02  0.515403D+02 -0.196651D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.276410D+01  0.250554D+02 -0.246485D+02
      2  -0.591336D+02  0.226898D+02 -0.206830D+03
      3   0.816901D+01  0.195632D+03 -0.254539D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.374628D+01 -0.230147D+01  0.728213D+01
      2  -0.230147D+01 -0.352340D+00 -0.171792D+01
      3   0.728213D+01 -0.171792D+01  0.283955D+01
 OR G Eigenvalues:    -8.5747    -1.0588     8.3744  Iso=     0.4197
 Eigenvectors:
   (1)   0.844735   0.127866  -0.519686
   (2)   0.052729   0.946431   0.318573
   (3)   0.532581  -0.296512   0.792741
 w=    0.088559 a.u., Optical Rotation Beta=      0.4197 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      103.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 3.88D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.22D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 4.34D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.22D-02 3.31D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 1.70D-03 8.23D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 6.66D-05 1.44D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 8.50D-07 1.83D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 7.95D-09 6.81D-06.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 5.43D-11 6.50D-07.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 2.53D-13 5.07D-08.
      7 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 8.61D-15 7.82D-09.
      4 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 4.22D-15 6.00D-09.
      4 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 6.15D-15 4.49D-09.
      4 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 1.03D-13 2.71D-08.
      4 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 3.62D-14 1.28D-08.
      3 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 2.65D-14 1.09D-08.
      3 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 4.64D-14 1.50D-08.
      3 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 3.21D-14 1.14D-08.
      3 vectors produced by pass 16 Test12= 7.00D-14 2.78D-09 XBig12= 9.83D-15 5.87D-09.
      3 vectors produced by pass 17 Test12= 7.00D-14 2.78D-09 XBig12= 3.39D-14 1.25D-08.
      3 vectors produced by pass 18 Test12= 7.00D-14 2.78D-09 XBig12= 9.42D-15 5.66D-09.
      3 vectors produced by pass 19 Test12= 7.00D-14 2.78D-09 XBig12= 4.00D-14 1.55D-08.
      3 vectors produced by pass 20 Test12= 7.00D-14 2.78D-09 XBig12= 2.45D-14 1.12D-08.
      3 vectors produced by pass 21 Test12= 7.00D-14 2.78D-09 XBig12= 1.69D-14 9.24D-09.
      3 vectors produced by pass 22 Test12= 7.00D-14 2.78D-09 XBig12= 2.10D-14 8.68D-09.
      3 vectors produced by pass 23 Test12= 7.00D-14 2.78D-09 XBig12= 1.74D-14 8.42D-09.
      3 vectors produced by pass 24 Test12= 7.00D-14 2.78D-09 XBig12= 1.03D-14 6.27D-09.
      3 vectors produced by pass 25 Test12= 7.00D-14 2.78D-09 XBig12= 5.49D-14 1.44D-08.
      3 vectors produced by pass 26 Test12= 7.00D-14 2.78D-09 XBig12= 1.68D-14 6.80D-09.
      3 vectors produced by pass 27 Test12= 7.00D-14 2.78D-09 XBig12= 2.92D-14 8.58D-09.
      3 vectors produced by pass 28 Test12= 7.00D-14 2.78D-09 XBig12= 1.41D-14 6.48D-09.
      3 vectors produced by pass 29 Test12= 7.00D-14 2.78D-09 XBig12= 4.02D-14 1.35D-08.
      3 vectors produced by pass 30 Test12= 7.00D-14 2.78D-09 XBig12= 7.70D-15 6.00D-09.
      3 vectors produced by pass 31 Test12= 7.00D-14 2.78D-09 XBig12= 4.23D-14 1.12D-08.
      3 vectors produced by pass 32 Test12= 7.00D-14 2.78D-09 XBig12= 7.84D-15 6.30D-09.
      3 vectors produced by pass 33 Test12= 7.00D-14 2.78D-09 XBig12= 2.56D-14 9.09D-09.
      3 vectors produced by pass 34 Test12= 7.00D-14 2.78D-09 XBig12= 1.55D-14 8.62D-09.
      3 vectors produced by pass 35 Test12= 7.00D-14 2.78D-09 XBig12= 5.27D-14 1.34D-08.
      3 vectors produced by pass 36 Test12= 7.00D-14 2.78D-09 XBig12= 1.18D-14 5.03D-09.
      3 vectors produced by pass 37 Test12= 7.00D-14 2.78D-09 XBig12= 9.12D-15 5.17D-09.
      3 vectors produced by pass 38 Test12= 7.00D-14 2.78D-09 XBig12= 1.50D-14 7.33D-09.
      3 vectors produced by pass 39 Test12= 7.00D-14 2.78D-09 XBig12= 4.21D-14 1.32D-08.
      3 vectors produced by pass 40 Test12= 7.00D-14 2.78D-09 XBig12= 1.44D-14 7.26D-09.
      3 vectors produced by pass 41 Test12= 7.00D-14 2.78D-09 XBig12= 1.54D-14 6.73D-09.
      2 vectors produced by pass 42 Test12= 7.00D-14 2.78D-09 XBig12= 2.13D-14 7.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   352 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.54D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.54D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.40D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219986D+03  0.628452D+01  0.780026D+01
      2   0.628452D+01  0.156450D+03 -0.858372D+01
      3   0.780026D+01 -0.858372D+01  0.141609D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.761554D+01  0.415360D+01 -0.976279D-01
      2  -0.119868D+02  0.107905D+02 -0.502672D+02
      3  -0.372707D+02  0.515403D+02 -0.196651D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194989D+03  0.209288D+02 -0.468684D+02
      2   0.837654D+02 -0.232632D+02 -0.111946D+01
      3   0.111224D+03  0.233440D+01  0.479879D+02
      4   0.290978D+02 -0.111867D+03  0.308113D+02
      5   0.122652D+02  0.335754D+02 -0.956059D+02
      6   0.812145D+01  0.239360D+02  0.269829D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112402D+02  0.172917D+01  0.280524D+01  0.138603D+02 -0.189658D+00
      2   0.172917D+01 -0.229379D+01 -0.199577D-02 -0.189658D+00  0.225546D+01
      3   0.280524D+01 -0.199577D-02  0.399823D+00  0.145080D+01  0.991787D+00
                 6             7             8             9            10 
      1   0.145080D+01 -0.715397D+00 -0.200628D+01  0.153127D+00 -0.332178D+02
      2   0.991787D+00 -0.200628D+01  0.851259D+00  0.651338D+00 -0.177030D+00
      3  -0.504968D+00  0.153127D+00  0.651338D+00 -0.425744D+01 -0.414452D+01
                11            12            13            14            15 
      1  -0.177030D+00 -0.414452D+01  0.437051D+00 -0.163508D+01 -0.164985D+01
      2  -0.268648D+01  0.851382D+00 -0.163508D+01 -0.163199D+01 -0.322927D+00
      3   0.851382D+00 -0.205479D+01 -0.164985D+01 -0.322927D+00 -0.124095D+01
                16            17            18            19            20 
      1  -0.877040D+01 -0.168696D+01 -0.456731D+01 -0.867933D+01 -0.804435D+00
      2  -0.168696D+01 -0.103581D+01 -0.618116D+00 -0.804435D+00  0.113811D+01
      3  -0.456731D+01 -0.618116D+00 -0.318148D+01 -0.307609D+01 -0.152606D+01
                21            22            23            24            25 
      1  -0.307609D+01  0.112253D+02  0.549552D+00  0.312265D+01 -0.116760D+02
      2  -0.152606D+01  0.549552D+00  0.299046D+01  0.128120D+01 -0.109124D+01
      3   0.251834D+01  0.312265D+01  0.128120D+01  0.932162D+00 -0.102861D+01
                26            27            28            29            30 
      1  -0.109124D+01 -0.102861D+01  0.295215D+02  0.208369D+01  0.537851D+01
      2   0.201323D+01  0.814789D+00  0.208369D+01  0.248623D+01 -0.284341D-01
      3   0.814789D+00 -0.203317D+01  0.537851D+01 -0.284341D-01  0.297099D+01
                31            32            33            34            35 
      1   0.194093D+01  0.144362D+01  0.188132D+01  0.641810D+01  0.235329D+01
      2   0.144362D+01 -0.490690D+00  0.761750D+00  0.235329D+01  0.208987D+01
      3   0.188132D+01  0.761750D+00  0.225636D+01  0.577316D+01  0.771548D+00
                36            37            38            39            40 
      1   0.577316D+01 -0.127781D+02 -0.158599D+01 -0.364192D+01 -0.155632D+02
      2   0.771548D+00 -0.158599D+01  0.395109D+01 -0.429585D-01 -0.127979D+01
      3   0.248582D+01 -0.364192D+01 -0.429585D-01 -0.653609D+00 -0.139060D+01
                41            42            43            44            45 
      1  -0.127979D+01 -0.139060D+01 -0.802817D-01  0.198204D+01  0.415370D+00
      2  -0.175653D+01 -0.157782D+01  0.198204D+01 -0.817702D+00 -0.956413D+00
      3  -0.157782D+01 -0.171959D+00  0.415370D+00 -0.956413D+00  0.446622D+01
                46            47            48            49            50 
      1   0.102504D+02  0.673097D+00  0.327836D+01 -0.100488D+02  0.100272D+01
      2   0.673097D+00 -0.213245D+01  0.167642D+01  0.100272D+01 -0.237106D+01
      3   0.327836D+01  0.167642D+01 -0.212141D+01 -0.296536D+01 -0.129754D+01
                51            52            53            54            55 
      1  -0.296536D+01  0.131112D+02  0.506084D+00  0.859020D-01  0.205548D+02
      2  -0.129754D+01  0.506084D+00 -0.354731D+01 -0.121463D+01 -0.170280D+01
      3  -0.118761D+01  0.859020D-01 -0.121463D+01  0.151220D+01 -0.841203D+00
                56            57            58            59            60 
      1  -0.170280D+01 -0.841203D+00 -0.510293D+01  0.378972D+01  0.142373D+01
      2   0.221603D+01  0.106396D+01  0.378972D+01  0.524684D+01  0.241693D+01
      3   0.106396D+01  0.179226D+01  0.142373D+01  0.241693D+01 -0.307026D+01
                61            62            63            64            65 
      1  -0.568096D+01  0.168696D+01  0.377773D+01 -0.227462D+01  0.332395D+01
      2   0.168696D+01  0.796751D+00 -0.227891D+01  0.332395D+01 -0.154172D+01
      3   0.377773D+01 -0.227891D+01  0.505353D+01  0.608318D+01 -0.885710D+00
                66            67            68            69            70 
      1   0.608318D+01  0.891545D+01 -0.133520D+01 -0.110009D+01  0.157439D+02
      2  -0.885710D+00 -0.133520D+01 -0.545714D+01 -0.852094D+00 -0.197162D+01
      3   0.192415D+00 -0.110009D+01 -0.852094D+00  0.385778D+01  0.692006D+00
                71            72            73            74            75 
      1  -0.197162D+01  0.692006D+00  0.584283D+00 -0.341876D+01 -0.487261D+01
      2  -0.127746D+01  0.403083D+01 -0.341876D+01  0.203839D+01  0.138535D+01
      3   0.403083D+01 -0.181878D+01 -0.487261D+01  0.138535D+01  0.260713D+00
                76            77            78            79            80 
      1  -0.373917D+01  0.103837D+01  0.929680D+00 -0.682994D+01  0.185190D+01
      2   0.103837D+01  0.323593D+01  0.971291D+00  0.185190D+01  0.151740D+01
      3   0.929680D+00  0.971291D+00 -0.360332D+01  0.838184D+00 -0.490776D+01
                81            82            83            84            85 
      1   0.838184D+00  0.876526D+00 -0.215299D+01 -0.549561D+01 -0.381086D+01
      2  -0.490776D+01 -0.215299D+01  0.141172D+01  0.855160D+00  0.191450D+01
      3   0.287397D+01 -0.549561D+01  0.855160D+00  0.103305D+01  0.199817D+01
                86            87            88            89            90 
      1   0.191450D+01  0.199817D+01 -0.674958D+01  0.157968D+01  0.411407D+00
      2   0.686337D+01  0.134893D+00  0.157968D+01  0.157196D+01 -0.318256D+01
      3   0.134893D+00 -0.340203D+01  0.411407D+00 -0.318256D+01  0.790869D+00
                91            92            93            94            95 
      1  -0.700679D+01  0.823599D+00  0.621038D+00 -0.211806D+01 -0.256429D+01
      2   0.823599D+00 -0.135570D+01 -0.763255D+00 -0.256429D+01  0.159538D+01
      3   0.621038D+00 -0.763255D+00 -0.263999D+01 -0.253864D+01 -0.454074D+01
                96            97            98            99           100 
      1  -0.253864D+01  0.531852D+01 -0.177695D+01 -0.602796D+01 -0.225227D+01
      2  -0.454074D+01 -0.177695D+01 -0.342318D+01 -0.569025D+00 -0.229651D+01
      3  -0.274559D+01 -0.602796D+01 -0.569025D+00 -0.645162D+00 -0.461044D+00
               101           102           103           104           105 
      1  -0.229651D+01 -0.461044D+00 -0.606875D+01 -0.247977D+01  0.281141D+01
      2  -0.108454D+01  0.420156D+00 -0.247977D+01 -0.220393D+01  0.273206D+01
      3   0.420156D+00  0.205864D+01  0.281141D+01  0.273206D+01 -0.182275D+01
               106           107           108           109           110 
      1  -0.213975D+00  0.122720D+01  0.253146D+01  0.570623D+01  0.385016D+01
      2   0.122720D+01  0.213465D+01 -0.710766D+00  0.385016D+01  0.227052D+01
      3   0.253146D+01 -0.710766D+00 -0.253679D+01 -0.152760D+01 -0.478957D+00
               111           112           113           114           115 
      1  -0.152760D+01  0.112639D+02  0.429362D+01 -0.207175D+01 -0.487624D+01
      2  -0.478957D+00  0.429362D+01  0.786578D+01 -0.179964D+01 -0.126868D+01
      3   0.412013D+00 -0.207175D+01 -0.179964D+01  0.325283D+01  0.164768D+01
               116           117           118           119           120 
      1  -0.126868D+01  0.164768D+01 -0.951984D+00 -0.878626D+00  0.250744D+01
      2  -0.221143D+01  0.228397D+01 -0.878626D+00 -0.452542D-01 -0.840574D+00
      3   0.228397D+01 -0.209936D+01  0.250744D+01 -0.840574D+00 -0.338550D+01
               121           122           123           124           125 
      1  -0.565424D+01  0.205835D+01  0.128969D+00  0.306623D+01 -0.129567D+01
      2   0.205835D+01 -0.501837D+01 -0.165211D+01 -0.129567D+01  0.323248D+00
      3   0.128969D+00 -0.165211D+01 -0.846345D+00 -0.372664D+01 -0.194514D+00
               126           127           128           129           130 
      1  -0.372664D+01 -0.169942D+01  0.134719D+01 -0.122857D+01  0.141404D+01
      2  -0.194514D+00  0.134719D+01 -0.946493D+00  0.974619D+00 -0.156836D+01
      3   0.394668D+01 -0.122857D+01  0.974619D+00 -0.119520D+01  0.118183D+01
               131           132           133           134           135 
      1  -0.156836D+01  0.118183D+01 -0.179589D+01  0.170146D+01 -0.132866D+01
      2   0.409195D+01 -0.286559D+01  0.170146D+01 -0.283244D+01  0.227029D+01
      3  -0.286559D+01  0.283364D+01 -0.132866D+01  0.227029D+01 -0.245668D+01
               136           137           138           139           140 
      1   0.352627D+01  0.206556D+01 -0.409250D+00  0.253460D+01  0.264248D+01
      2   0.206556D+01  0.205573D+01 -0.399837D+00  0.264248D+01  0.443660D+01
      3  -0.409250D+00 -0.399837D+00  0.499127D+00 -0.100798D+01 -0.148527D+01
               141           142           143           144           145 
      1  -0.100798D+01 -0.720567D+00 -0.815856D+00  0.467220D+00  0.180314D+01
      2  -0.148527D+01 -0.815856D+00 -0.191686D+01  0.782143D+00 -0.151443D+01
      3   0.116005D+01  0.467220D+00  0.782143D+00 -0.703955D+00  0.149523D+01
               146           147           148           149           150 
      1  -0.151443D+01  0.149523D+01 -0.141230D+01  0.182375D+01 -0.128378D+01
      2   0.140412D+01 -0.120426D+01  0.182375D+01 -0.530087D+01  0.309307D+01
      3  -0.120426D+01  0.130925D+01 -0.128378D+01  0.309307D+01 -0.272965D+01
               151           152           153           154           155 
      1   0.137570D+01 -0.166270D+01  0.119943D+01 -0.323999D+01 -0.248349D+01
      2  -0.166270D+01  0.333986D+01 -0.225849D+01 -0.248349D+01 -0.285183D+01
      3   0.119943D+01 -0.225849D+01  0.195021D+01  0.525968D+00  0.407130D+00
               156           157           158           159           160 
      1   0.525968D+00 -0.297993D+01 -0.334314D+01  0.101843D+01  0.657943D+00
      2   0.407130D+00 -0.334314D+01 -0.600589D+01  0.148178D+01  0.679845D+00
      3  -0.255603D+00  0.101843D+01  0.148178D+01 -0.995438D+00 -0.373217D+00
               161           162           163           164           165 
      1   0.679845D+00 -0.373217D+00 -0.309619D+01 -0.169628D+01 -0.423230D+00
      2   0.198758D+01 -0.739119D+00 -0.169628D+01 -0.170985D+01 -0.785961D+00
      3  -0.739119D+00  0.447068D+00 -0.423230D+00 -0.785961D+00 -0.789655D+00
               166           167           168           169           170 
      1  -0.459866D+01 -0.285808D+01 -0.152014D+01  0.196565D+01 -0.637440D+00
      2  -0.285808D+01 -0.710282D+01 -0.267017D+01 -0.637440D+00 -0.100303D+01
      3  -0.152014D+01 -0.267017D+01 -0.176821D+01 -0.803732D+00 -0.111951D+01
               171           172           173           174           175 
      1  -0.803732D+00 -0.153608D+01  0.697264D+00 -0.118600D+01  0.417480D+01
      2  -0.111951D+01  0.697264D+00 -0.390342D+00  0.453548D-01 -0.944518D+00
      3  -0.143772D+01 -0.118600D+01  0.453548D-01 -0.106502D+01  0.101501D+01
               176           177           178           179           180 
      1  -0.944518D+00  0.101501D+01 -0.234602D+01  0.264941D+00 -0.262738D+01
      2   0.547300D+00 -0.149508D+01  0.264941D+00 -0.103056D+01  0.122879D+01
      3  -0.149508D+01  0.298454D+01 -0.262738D+01  0.122879D+01 -0.845372D+01
               181           182           183           184           185 
      1  -0.115475D+02 -0.112765D+01 -0.383977D+01 -0.235775D+01 -0.161493D+01
      2  -0.112765D+01 -0.113194D+01 -0.187537D+00 -0.161493D+01  0.721145D-01
      3  -0.383977D+01 -0.187537D+00 -0.229142D+01 -0.141090D+00 -0.540056D+00
               186           187           188           189           190 
      1  -0.141090D+00 -0.611131D+01  0.320284D-01 -0.287495D+01 -0.292990D+00
      2  -0.540056D+00  0.320284D-01 -0.641097D+00 -0.723536D+00  0.101500D+01
      3  -0.817260D+00 -0.287495D+01 -0.723536D+00 -0.219957D+01 -0.451851D+00
               191           192           193           194           195 
      1   0.101500D+01 -0.451851D+00  0.980871D+00 -0.635202D+00  0.213388D+00
      2  -0.299936D+00 -0.113171D-02 -0.635202D+00  0.302519D+01 -0.221318D+01
      3  -0.113171D-02 -0.257959D+00  0.213388D+00 -0.221318D+01  0.244770D+01
               196           197           198           199           200 
      1  -0.109937D+01  0.576815D+00 -0.525815D+00  0.584343D+01  0.226638D+00
      2   0.576815D+00 -0.376365D+01  0.341375D+01  0.226638D+00  0.193137D+01
      3  -0.525815D+00  0.341375D+01 -0.541939D+01  0.162315D+01  0.475861D+00
               201           202           203           204           205 
      1   0.162315D+01  0.597615D+00  0.772594D+00  0.220331D+00  0.221495D+01
      2   0.475861D+00  0.772594D+00  0.929203D+00  0.358371D+00  0.307813D+00
      3   0.143495D+01  0.220331D+00  0.358371D+00  0.752257D+00  0.933357D+00
               206           207           208           209           210 
      1   0.307813D+00  0.933357D+00 -0.635623D+01  0.378518D+01  0.265184D+01
      2   0.104245D+01  0.114736D+01  0.378518D+01 -0.328914D+01 -0.137819D+01
      3   0.114736D+01  0.129765D+01  0.265184D+01 -0.137819D+01 -0.180469D+01
               211           212           213           214           215 
      1   0.249861D+01 -0.268623D+01 -0.112012D+01  0.359555D+01 -0.216418D+01
      2  -0.268623D+01  0.266033D+01  0.115357D+01 -0.216418D+01  0.221939D+01
      3  -0.112012D+01  0.115357D+01  0.117533D+01 -0.233737D+01  0.204908D+01
               216           217           218           219           220 
      1  -0.233737D+01  0.591866D+01  0.470501D+00  0.130344D+01  0.566135D+00
      2   0.204908D+01  0.470501D+00  0.748638D+00 -0.134819D+00  0.204786D+00
      3   0.194866D+01  0.130344D+01 -0.134819D+00  0.243606D+01  0.884999D-01
               221           222           223           224           225 
      1   0.204786D+00  0.884999D-01  0.207547D+01 -0.524551D-01  0.119093D+01
      2  -0.455566D+00  0.475334D+00 -0.524551D-01  0.553305D+00  0.155689D+00
      3   0.475334D+00  0.770163D+00  0.119093D+01  0.155689D+00  0.267054D+01
               226           227           228           229           230 
      1  -0.115563D+01 -0.126648D+01  0.687147D+00 -0.198932D+01 -0.218041D+01
      2  -0.126648D+01 -0.148311D+01  0.594177D-01 -0.218041D+01 -0.865081D+01
      3   0.687147D+00  0.594177D-01 -0.414207D+00  0.439347D+00  0.953821D+00
               231           232           233           234           235 
      1   0.439347D+00  0.185593D+00 -0.153000D+00 -0.272895D+00 -0.707881D+01
      2   0.953821D+00 -0.153000D+00 -0.579096D+00 -0.593398D+00  0.931000D+00
      3  -0.126944D+01 -0.272895D+00 -0.593398D+00 -0.449797D-02  0.446417D+01
               236           237           238           239           240 
      1   0.931000D+00  0.446417D+01  0.271314D+01 -0.145330D+01 -0.170034D+01
      2  -0.121473D+01 -0.500830D+00 -0.145330D+01  0.415955D+00  0.856531D+00
      3  -0.500830D+00 -0.337562D+01 -0.170034D+01  0.856531D+00  0.201526D+01
               241           242           243           244           245 
      1   0.403839D+01 -0.592263D+00 -0.358153D+01 -0.281691D+00 -0.159502D+01
      2  -0.592263D+00  0.538325D+00  0.797778D+00 -0.159502D+01  0.857302D+00
      3  -0.358153D+01  0.797778D+00  0.386953D+01  0.392721D+00 -0.396017D+00
               246           247           248           249           250 
      1   0.392721D+00 -0.274614D+01  0.144327D+01 -0.799288D+00  0.666015D+00
      2  -0.396017D+00  0.144327D+01 -0.444432D+01  0.203260D+01 -0.542210D+00
      3   0.734073D+00 -0.799288D+00  0.203260D+01 -0.199506D+01  0.141887D+01
               251           252           253           254           255 
      1  -0.542210D+00  0.141887D+01 -0.806322D+01 -0.193297D+01 -0.680106D+01
      2   0.210276D+01 -0.146767D+01 -0.193297D+01  0.645330D+00 -0.511923D+00
      3  -0.146767D+01  0.249543D+01 -0.680106D+01 -0.511923D+00  0.119810D+01
               256           257           258           259           260 
      1   0.328113D+01  0.245980D+01  0.143516D+01 -0.307873D+01  0.679471D+00
      2   0.245980D+01 -0.124056D+01  0.389949D+01  0.679471D+00  0.377841D+01
      3   0.143516D+01  0.389949D+01  0.302982D+01  0.291209D+01  0.120519D+01
               261           262           263           264           265 
      1   0.291209D+01  0.494756D+01 -0.175244D+01 -0.353828D+01  0.534094D+00
      2   0.120519D+01 -0.175244D+01  0.133925D+01  0.111731D+01  0.617841D+00
      3  -0.766373D+00 -0.353828D+01  0.111731D+01  0.328036D+01 -0.468454D+00
               266           267           268           269           270 
      1   0.617841D+00 -0.468454D+00 -0.485370D+01  0.170942D+01  0.488669D+01
      2  -0.831253D+00 -0.528348D+00  0.170942D+01 -0.175915D+01 -0.183300D+01
      3  -0.528348D+00  0.369735D+00  0.488669D+01 -0.183300D+01 -0.594106D+01
               271           272           273           274           275 
      1   0.402431D+00  0.805737D+00  0.188911D+00  0.153251D+01  0.596670D-01
      2   0.805737D+00 -0.700991D+00 -0.254596D-01  0.596670D-01  0.589421D+01
      3   0.188911D+00 -0.254596D-01 -0.397393D+00  0.301922D+00 -0.498008D+00
               276           277           278           279           280 
      1   0.301922D+00 -0.848569D+00 -0.127374D+00 -0.526558D+00  0.120824D+02
      2  -0.498008D+00 -0.127374D+00 -0.202267D+01  0.364589D+00  0.233831D+01
      3   0.141418D+01 -0.526558D+00  0.364589D+00 -0.106684D+01  0.562572D+01
               281           282           283           284           285 
      1   0.233831D+01  0.562572D+01  0.300967D+00  0.110689D+01  0.163332D+00
      2   0.158601D+01  0.141408D+01  0.110689D+01  0.635254D+00  0.415989D+00
      3   0.141408D+01  0.374086D+01  0.163332D+00  0.415989D+00 -0.176995D+00
               286           287           288           289           290 
      1   0.388249D+01  0.803040D+00  0.292072D+01 -0.174921D+01  0.219839D+00
      2   0.803040D+00  0.319794D+00  0.725678D+00  0.219839D+00 -0.921528D+00
      3   0.292072D+01  0.725678D+00  0.298502D+01  0.230653D+01 -0.652297D+00
               291           292           293           294           295 
      1   0.230653D+01 -0.581296D+00 -0.453566D+00 -0.664969D-01  0.213124D+01
      2  -0.652297D+00 -0.453566D+00  0.200477D+00  0.328070D+00 -0.971105D-01
      3  -0.356895D+01 -0.664969D-01  0.328070D+00 -0.903964D+00 -0.165269D+01
               296           297 
      1  -0.971105D-01 -0.165269D+01
      2   0.681208D+00  0.674622D+00
      3   0.674622D+00  0.622863D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.154632D+01  0.351760D+01  0.702618D-01  0.592629D+01  0.732263D+00
      2   0.420850D+01 -0.448126D+01  0.458233D+01 -0.144153D+01 -0.551784D+01
      3  -0.162811D+02 -0.709551D+01  0.192543D+01 -0.271564D+01 -0.209933D+01
                 6             7             8             9            10 
      1  -0.238818D+01  0.546602D+01  0.277999D+01  0.136114D+01 -0.485523D+01
      2   0.183427D+01 -0.126832D+02 -0.327024D+01  0.103066D+01 -0.754438D+01
      3   0.831729D+00  0.567035D+01  0.941704D+00 -0.745181D+00  0.207106D+02
                11            12            13            14            15 
      1  -0.213895D+01  0.565278D+00 -0.104752D+02  0.522062D+01 -0.141525D+01
      2   0.135334D+01 -0.257454D+01  0.754655D+01  0.446488D+01 -0.194426D+01
      3   0.155793D+01  0.209960D+01  0.216701D+02  0.206443D+01  0.234503D+01
                16            17            18            19            20 
      1   0.343200D+01  0.658768D+01 -0.596782D+01 -0.336625D+00 -0.136105D+01
      2  -0.162962D+02 -0.197870D+01 -0.284409D+00  0.561280D+01 -0.446698D+00
      3  -0.814792D+00  0.140693D+01  0.856027D+00  0.888083D+01 -0.432106D+01
                21            22            23            24            25 
      1  -0.154630D+00 -0.159620D+01 -0.222913D+01 -0.290182D+01 -0.687224D+01
      2   0.144654D+01 -0.719158D+01  0.218384D+01 -0.899325D+00 -0.941540D+01
      3   0.336044D+01 -0.210273D+01  0.430849D+00 -0.191332D+01  0.114472D+02
                26            27            28            29            30 
      1   0.173241D+01 -0.411449D+01  0.243846D+01 -0.445369D+01  0.388703D+01
      2   0.158969D+01 -0.301147D+01  0.497289D+01  0.231780D+01  0.488508D+00
      3  -0.151633D+01  0.542908D+01 -0.169232D+02  0.597748D+00 -0.506125D+01
                31            32            33            34            35 
      1  -0.736731D+01  0.429150D+01 -0.829896D+00  0.852421D+01  0.696639D+01
      2   0.540144D+01  0.455047D+01  0.217970D+01 -0.125706D+02 -0.105732D+01
      3   0.242985D+02  0.416638D+01  0.230546D+01 -0.102336D+02  0.123775D+01
                36            37            38            39            40 
      1  -0.205878D+01 -0.342006D+01  0.111240D+01 -0.692767D+00  0.887969D+00
      2  -0.579596D+01 -0.463810D+00 -0.429513D+01  0.347010D+01  0.730848D+00
      3  -0.632557D+01  0.436413D+01 -0.413951D+01  0.560909D+01  0.133523D+02
                41            42            43            44            45 
      1   0.270178D+00 -0.231101D+01  0.373225D+01  0.131074D+01  0.487781D+01
      2  -0.418092D+01 -0.947909D+00 -0.937006D+01 -0.296607D+01  0.125843D+01
      3  -0.710855D-01  0.354567D+01  0.475278D+01  0.167218D+00  0.419651D+00
                46            47            48            49            50 
      1   0.453021D+01  0.103659D+01 -0.260437D+01 -0.492488D+01 -0.932356D+00
      2   0.723380D+01 -0.920747D+00  0.169605D+01 -0.903631D+01  0.215743D+01
      3  -0.687507D+01 -0.426385D+01 -0.195335D+01  0.106161D+02 -0.890051D+00
                51            52            53            54            55 
      1  -0.401862D+01 -0.706993D+01  0.275910D+01 -0.157428D+01  0.326549D+01
      2   0.282319D+00 -0.641515D+01  0.287624D+01 -0.280823D+01  0.249013D+02
      3   0.149618D+01 -0.543158D+01 -0.306125D+01  0.140274D+01 -0.190918D+02
                56            57            58            59            60 
      1  -0.403398D+00 -0.153763D+01 -0.372410D+01 -0.733944D+01 -0.739440D+01
      2  -0.543137D+01 -0.416798D+01 -0.106477D+02 -0.139417D+01  0.122309D+02
      3   0.604924D+01  0.376660D+01  0.248671D+02  0.153533D+02  0.755222D+01
                61            62            63            64            65 
      1  -0.204159D+01 -0.143003D+01  0.778158D+01 -0.276796D+01 -0.114206D+00
      2  -0.283159D+02  0.114242D+02 -0.123817D+02 -0.366493D+02  0.516695D+01
      3   0.958985D+01  0.238572D+01 -0.121054D+02  0.215494D+02 -0.952892D+01
                66            67            68            69            70 
      1   0.437623D+00  0.462261D+01  0.552808D+00 -0.391198D+01  0.871847D-01
      2   0.304051D+01  0.129987D+02  0.864340D+00 -0.155362D+02  0.625675D+01
      3  -0.313630D+01 -0.471136D+01 -0.231546D+02 -0.457559D+01 -0.145222D+02
                71            72            73            74            75 
      1   0.314919D+01 -0.413320D+00  0.978296D+01 -0.297086D+01 -0.104470D+01
      2  -0.178867D+02  0.840311D+01  0.214157D+02 -0.483026D+01  0.725725D+00
      3  -0.617755D+01  0.182262D+02 -0.185380D+02 -0.259787D+01 -0.429079D+01
                76            77            78            79            80 
      1  -0.208403D+01 -0.272829D+01  0.673997D+01 -0.362130D+01  0.140523D+02
      2  -0.422989D+01 -0.350346D+01  0.139785D+02 -0.581777D+01  0.192026D+02
      3  -0.242712D+01  0.170387D+02  0.625329D+01 -0.466553D+01  0.998085D+01
                81            82            83            84            85 
      1  -0.655153D+01 -0.604564D+01  0.314773D+01  0.271649D+01  0.589831D+01
      2  -0.113059D+02  0.272055D+02 -0.247034D+01  0.800251D+01 -0.572833D+01
      3  -0.192879D+02 -0.916618D+01  0.549705D+01  0.878712D+01  0.123506D+02
                86            87            88            89            90 
      1   0.125466D+02 -0.518300D+01  0.385659D+01  0.153407D+01 -0.499297D+01
      2  -0.245204D+01  0.124717D+02  0.655431D+01  0.121037D+02 -0.478952D+01
      3   0.283700D+02 -0.279798D+00  0.131825D+02  0.619006D+01 -0.146765D+02
                91            92            93            94            95 
      1  -0.204821D+01 -0.238759D+01 -0.554403D+00 -0.583464D+01  0.161235D+01
      2   0.157439D+02 -0.205456D+01 -0.276190D+01 -0.449337D+01 -0.117187D+02
      3  -0.747145D+00 -0.657030D+00  0.243640D+01  0.163905D+02 -0.606625D+01
                96            97            98            99           100 
      1  -0.921364D+01  0.157445D+01 -0.204215D+00  0.188564D+00  0.258112D+01
      2  -0.514679D+01 -0.337432D+02 -0.151132D+01  0.228662D+01 -0.281767D+02
      3   0.152215D+02  0.456800D+01  0.122246D+02  0.315677D+01  0.510643D+01
               101           102           103           104           105 
      1   0.693909D+01  0.263436D+01  0.313755D+01  0.249343D+01  0.636823D+01
      2   0.374512D+01  0.101931D+02  0.124321D+02  0.961552D+01 -0.920198D+01
      3   0.118038D+01 -0.197445D+01  0.866295D+01  0.122925D+02 -0.106793D+02
               106           107           108           109           110 
      1  -0.158204D+01  0.443727D+01 -0.412988D-01 -0.172988D+01 -0.346461D+01
      2  -0.169995D+01 -0.350172D+01  0.480939D+01  0.161106D+01 -0.155846D+01
      3  -0.181325D+01 -0.179071D+02  0.843040D+00 -0.107791D+02 -0.116518D+02
               111           112           113           114           115 
      1  -0.316302D+01 -0.116039D+00 -0.553234D+01 -0.756905D+01 -0.946608D+00
      2   0.494475D+01 -0.117193D+02 -0.847326D+01  0.140033D+02  0.792340D+01
      3   0.152974D+01 -0.659909D+01 -0.328663D+02  0.598492D+01 -0.554634D+00
               116           117           118           119           120 
      1   0.357835D+01  0.163190D+01  0.299507D+01 -0.800149D+00 -0.988497D+00
      2   0.957518D+01 -0.121815D+02  0.115481D+02 -0.435314D+01 -0.899990D+01
      3   0.122880D+02 -0.847368D+01  0.397477D+01 -0.211756D+01  0.108966D+01
               121           122           123           124           125 
      1   0.320041D+01  0.349218D+01 -0.748077D+01 -0.207651D+01  0.160490D+01
      2   0.189076D+01 -0.512364D+01 -0.457144D+01 -0.113775D+02 -0.132360D+01
      3  -0.526609D+00  0.198610D+02  0.415331D+01  0.446312D+01  0.111955D+01
               126           127           128           129           130 
      1   0.297923D+01 -0.858852D+00  0.908170D+00  0.922259D+00  0.135015D+01
      2   0.117511D+02 -0.308068D+01  0.107588D+01 -0.107839D+00  0.213763D+01
      3   0.423903D+01 -0.307313D+01  0.469575D+00 -0.541474D+00  0.249205D+01
               131           132           133           134           135 
      1  -0.331688D+01 -0.119553D+01 -0.150846D+01  0.404506D+01 -0.237735D+00
      2   0.320543D+00 -0.171674D+01 -0.408317D+01  0.264209D+00  0.109538D+01
      3   0.149395D+01 -0.587872D+00 -0.229096D+01 -0.814625D+00  0.158404D+00
               136           137           138           139           140 
      1  -0.167096D+01 -0.238090D+01 -0.152149D+01 -0.120830D+01 -0.163205D+01
      2   0.419333D+01  0.178380D+01  0.805691D+00  0.261268D+01  0.150674D+01
      3   0.595017D+01  0.564637D+00 -0.316639D+00  0.475946D+01 -0.113289D+01
               141           142           143           144           145 
      1  -0.268747D+01 -0.287443D+00  0.188861D+01  0.361122D-01  0.176820D+01
      2   0.126959D+01 -0.581124D+00 -0.479007D+00 -0.635964D+00 -0.111896D+01
      3  -0.172483D+00  0.707879D+00  0.128615D+01  0.275833D+00 -0.445196D+01
               146           147           148           149           150 
      1  -0.592279D+00  0.266860D+01 -0.782494D+00  0.525738D+00 -0.457835D+01
      2   0.137879D+00  0.487774D+00  0.820522D+00  0.710950D+00 -0.207494D+01
      3   0.959537D+00 -0.195264D+01  0.356118D+01  0.235533D-01  0.973232D+00
               151           152           153           154           155 
      1   0.625467D+00  0.136638D+01  0.202675D+01  0.698295D+00 -0.591662D+00
      2  -0.246096D+01 -0.202060D+00  0.702752D+00  0.149804D+01  0.618687D+00
      3  -0.350177D+01  0.718717D+00 -0.124629D+01  0.663783D+01  0.725474D+00
               156           157           158           159           160 
      1  -0.189299D+01  0.188892D+01  0.174741D+01 -0.394640D+01 -0.149414D+00
      2   0.105659D+01  0.437428D-01  0.348075D+00  0.176473D+01 -0.148639D+01
      3  -0.865039D+00  0.569572D+01 -0.118425D+01 -0.559806D+00  0.108839D+00
               161           162           163           164           165 
      1   0.769951D+00  0.788017D+00  0.182656D+01  0.203228D+01 -0.119213D+00
      2   0.157858D+00 -0.584490D+00 -0.334478D+01  0.627692D-01  0.331666D+01
      3   0.112908D+01  0.383739D-01 -0.445200D+01 -0.602342D+01 -0.230509D+01
               166           167           168           169           170 
      1   0.265648D+01  0.925668D+01 -0.450769D+00  0.743469D+00  0.189012D+01
      2  -0.118688D+01  0.394467D+01  0.434241D+01  0.289352D+01  0.209622D+01
      3  -0.323855D+01 -0.219372D+02 -0.801208D+01 -0.383651D+01 -0.307639D+01
               171           172           173           174           175 
      1  -0.174856D-01 -0.167668D+01  0.899198D+00 -0.486972D+00  0.160209D+01
      2   0.376365D+01  0.247332D+01  0.505153D+00  0.316019D+01  0.251990D+01
      3  -0.273969D+01  0.471876D+01 -0.328464D+01  0.115629D+01 -0.398881D+01
               176           177           178           179           180 
      1  -0.247239D+01  0.289883D+01 -0.176673D+01  0.560099D+01 -0.679560D+01
      2   0.332378D+01 -0.896565D+01  0.284646D+01 -0.346009D+01  0.242545D+02
      3   0.216915D+01 -0.579263D+01  0.216429D+01 -0.430100D+01  0.695007D+01
               181           182           183           184           185 
      1   0.305723D+00  0.118230D+01 -0.167043D-01  0.158242D+00  0.328124D-01
      2   0.908306D+01  0.862340D-01  0.114138D+02 -0.146396D+01  0.136913D+01
      3  -0.373008D+01 -0.841612D+01 -0.415010D+00 -0.465643D+01  0.104666D+01
               186           187           188           189           190 
      1  -0.744212D+00 -0.137755D+00  0.165135D+01  0.208032D+00  0.585526D+00
      2   0.384406D+01  0.581363D+01  0.373923D+01  0.809986D+01  0.199397D+01
      3  -0.215693D+01  0.181997D+01 -0.332542D+01 -0.329092D+01  0.556917D+01
               191           192           193           194           195 
      1   0.784613D-02  0.165786D+00 -0.273587D+00  0.319837D+01 -0.686776D+01
      2   0.148048D+00  0.124314D+01  0.173088D+00  0.821629D+01 -0.926678D+01
      3  -0.242958D+00 -0.737268D+00  0.139797D+01  0.111250D+02 -0.913967D+01
               196           197           198           199           200 
      1   0.318023D+00 -0.351914D+01  0.121882D+02 -0.297706D+01 -0.219443D+00
      2  -0.126654D+01 -0.125140D+02  0.208840D+02 -0.903563D+01 -0.187082D+01
      3  -0.117660D+01 -0.152713D+02  0.141609D+02  0.199244D+02  0.686610D+01
               201           202           203           204           205 
      1  -0.380001D+01 -0.305932D+00 -0.928694D+00 -0.228598D+01 -0.245522D+01
      2  -0.433819D+01 -0.800224D+00 -0.159215D+01 -0.214810D+01 -0.617688D+01
      3   0.601270D+01  0.725416D+01  0.436981D+01  0.241477D+01  0.616872D+01
               206           207           208           209           210 
      1  -0.546747D+00 -0.252025D+01 -0.592320D+01  0.202712D+01  0.525337D+01
      2  -0.408302D+01 -0.416513D+01 -0.106361D+02  0.561730D+01  0.949858D+01
      3   0.428570D+01  0.714670D+01  0.336551D+01 -0.950738D+01 -0.607647D+00
               211           212           213           214           215 
      1   0.301030D+01 -0.216220D+01 -0.410241D+01  0.505290D+01 -0.247471D+01
      2   0.371435D+01 -0.477060D+01 -0.572595D+01  0.792019D+01 -0.833128D+01
      3  -0.343513D+01  0.681019D+01  0.238519D+01 -0.396159D+00  0.654385D+01
               216           217           218           219           220 
      1  -0.467560D+01  0.541809D+00  0.244628D+01  0.125646D+01  0.111765D+01
      2  -0.884743D+01 -0.213884D+02  0.271942D+00 -0.119841D+02 -0.249293D+00
      3   0.479624D+01 -0.406540D+01  0.166816D+01 -0.192853D+01  0.322095D+01
               221           222           223           224           225 
      1  -0.185043D+00 -0.155883D+00  0.577625D+00  0.207229D+01  0.197258D+01
      2  -0.254404D+01 -0.310430D+01 -0.119642D+02 -0.698381D+00 -0.126189D+02
      3  -0.222991D+01  0.150440D+01 -0.252045D+01  0.106754D+01 -0.717956D+00
               226           227           228           229           230 
      1  -0.115170D+01 -0.212448D+01 -0.578944D+00 -0.234203D+01 -0.125561D+02
      2  -0.299319D+01  0.925711D+00  0.154095D+01  0.720027D+00 -0.310791D+01
      3  -0.517045D+01 -0.584009D+01 -0.185213D+00 -0.364232D+01 -0.361509D+02
               231           232           233           234           235 
      1  -0.335525D+01 -0.197638D+00 -0.147089D+00 -0.979994D+00  0.489159D+01
      2   0.580446D+01 -0.761806D+00  0.231193D+01  0.683580D+00 -0.968090D+01
      3   0.332632D+01 -0.629314D+00 -0.261003D+01 -0.222880D+01  0.877273D+01
               236           237           238           239           240 
      1  -0.389528D+01 -0.304516D+01 -0.320783D+01  0.186755D+01  0.128905D+01
      2   0.645672D+00  0.114289D+02  0.334804D+01 -0.203688D+01 -0.772511D+01
      3  -0.859436D+01 -0.507523D+01 -0.737696D+01  0.327005D+01  0.440200D+01
               241           242           243           244           245 
      1  -0.432502D+01  0.334182D+01  0.362354D+01 -0.200017D+01  0.112397D+01
      2   0.689976D+01 -0.249864D+01 -0.136541D+02  0.153767D+01  0.154467D+00
      3  -0.561790D+01  0.407908D+01  0.590833D+01  0.543813D+01 -0.274030D+01
               246           247           248           249           250 
      1  -0.359180D+00  0.101768D+01 -0.532179D+01 -0.546308D+00 -0.900767D+00
      2   0.273530D+01  0.347913D+00  0.505806D+01 -0.490497D+01  0.190690D+01
      3   0.154167D+01  0.317587D+00  0.133073D+02 -0.585575D+01  0.117334D+01
               251           252           253           254           255 
      1   0.340140D+01 -0.465236D+00  0.392854D+01  0.386038D+01 -0.380825D+01
      2  -0.368073D+01  0.572403D+01 -0.552514D+01  0.151000D+01  0.192518D+02
      3  -0.664088D+01  0.400356D+01 -0.417608D+01 -0.728709D+01 -0.677202D+01
               256           257           258           259           260 
      1   0.462003D+01 -0.101005D+02  0.428656D+01 -0.828924D+00  0.976023D+01
      2   0.248620D+01  0.974384D+01  0.768450D+01  0.158773D+02  0.372239D+01
      3  -0.858474D+01  0.635758D+01 -0.141241D+02 -0.845924D+01 -0.127565D+02
               261           262           263           264           265 
      1   0.592287D+01 -0.266903D+01 -0.851046D+00  0.299662D+01  0.241052D+00
      2  -0.685209D+01 -0.954782D+01  0.411883D+01  0.113925D+02 -0.161878D+01
      3  -0.256721D+01  0.203355D+01 -0.474115D+01 -0.120386D+01 -0.131530D+01
               266           267           268           269           270 
      1  -0.959469D+00 -0.372818D+00  0.404451D+01  0.837943D+00 -0.511123D+01
      2  -0.177744D+01  0.152847D+01  0.146520D+02 -0.638608D+01 -0.222335D+02
      3   0.183457D+01  0.158443D+01 -0.199865D+01  0.640701D+01  0.288299D+01
               271           272           273           274           275 
      1   0.248965D+01 -0.174067D+01  0.150511D+01 -0.993566D+00  0.137732D+02
      2   0.220678D+00 -0.113366D+01 -0.117640D+01 -0.139002D+01 -0.134214D+01
      3  -0.375146D+01  0.280009D+01 -0.619325D+00  0.403045D+01 -0.178129D+02
               276           277           278           279           280 
      1  -0.624288D+01  0.150217D+01 -0.424662D+01  0.478569D+01 -0.132668D+01
      2   0.333131D+01 -0.181450D+01  0.110657D+01 -0.237595D+01 -0.524571D+01
      3   0.240149D+01 -0.274458D+01  0.653275D+01 -0.232468D+01  0.485296D+01
               281           282           283           284           285 
      1   0.338389D+01 -0.178126D+01  0.191450D+01  0.149683D+01 -0.431510D+00
      2   0.862799D+00  0.456358D+01 -0.976237D-01 -0.936560D+00 -0.457937D+00
      3  -0.583318D+01  0.631066D+00 -0.174106D+01 -0.164824D+01 -0.359559D+00
               286           287           288           289           290 
      1  -0.183861D+01  0.109873D+01 -0.218869D+01 -0.271756D+01 -0.313458D+01
      2   0.339942D+00  0.630102D+00  0.500512D+01  0.128771D+02 -0.155429D+01
      3   0.216635D+01 -0.150149D+01  0.574124D+00 -0.372167D+01  0.172204D+01
               291           292           293           294           295 
      1   0.307095D+01 -0.191315D+01 -0.421543D+00  0.195273D+00  0.221385D+01
      2  -0.135716D+02  0.137038D+01  0.209316D+01 -0.221185D+01 -0.115725D+02
      3   0.428782D+01  0.211306D+01 -0.997874D+00 -0.570543D+00  0.322454D+01
               296           297 
      1   0.257707D+01 -0.595821D+01
      2   0.188570D+01  0.208724D+02
      3  -0.103236D+01 -0.473820D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.449626D+01  0.137443D+02 -0.551292D+01 -0.303746D+02  0.151384D+02
      2   0.652470D+01 -0.130291D+02  0.683188D+01  0.184508D+02 -0.421579D+01
      3  -0.202843D+01 -0.715208D+00 -0.131896D+01  0.119238D+02 -0.109226D+02
      4   0.981530D+01  0.443386D+01  0.604376D+01  0.158535D+02 -0.715205D+00
      5  -0.100600D+02  0.772719D+01 -0.557917D+01 -0.774315D+01 -0.325056D+01
      6   0.891236D+01  0.158906D+01  0.694854D+00 -0.555050D+01  0.892217D+01
                 6             7             8             9            10 
      1  -0.130877D+02  0.114785D+02  0.425220D+01 -0.107269D+02  0.637769D+02
      2   0.722860D+01 -0.818188D+01  0.155647D+01 -0.103310D+02 -0.332354D+02
      3   0.585910D+01 -0.329658D+01 -0.580867D+01  0.210579D+02 -0.305415D+02
      4  -0.308275D+01  0.102357D+02 -0.704880D+01  0.388536D+01 -0.250376D+01
      5  -0.156604D+01  0.435142D+01  0.369574D+01 -0.212338D+01  0.118789D+02
      6  -0.595401D+01  0.706576D+01 -0.145860D+01  0.415814D+01  0.519929D+00
                11            12            13            14            15 
      1  -0.231711D+01  0.778383D+01 -0.108541D+02 -0.155058D+02  0.569430D+01
      2   0.646652D+01 -0.688832D+01  0.431265D+01  0.121460D+02 -0.110276D+02
      3  -0.414941D+01 -0.895511D+00  0.654145D+01  0.335975D+01  0.533329D+01
      4   0.787420D+01 -0.513207D+01 -0.110056D+02  0.403629D+01  0.102103D+01
      5  -0.440282D+01  0.166032D+01  0.123271D+02  0.398246D+00  0.739731D+00
      6   0.205507D+01 -0.998411D+00 -0.222622D+00 -0.416940D+01  0.527321D+01
                16            17            18            19            20 
      1   0.329513D+01  0.687546D+01 -0.715934D+01  0.267291D+01 -0.148326D+02
      2  -0.544497D+01 -0.129396D+01 -0.154286D+01 -0.981688D+01  0.627375D+01
      3   0.214984D+01 -0.558151D+01  0.870220D+01  0.714397D+01  0.855883D+01
      4   0.143490D+02  0.331471D+01 -0.359443D+00 -0.135534D+02 -0.752758D+01
      5   0.966896D+01 -0.401337D-01  0.579237D+01  0.283800D+01 -0.302014D+01
      6   0.958531D+01  0.118798D+02  0.490269D+01 -0.574903D+01 -0.546112D+01
                21            22            23            24            25 
      1   0.131093D+02  0.201109D+02  0.105832D+01 -0.278590D+01 -0.129521D+02
      2  -0.102894D+01 -0.138959D+02 -0.937706D+00  0.349784D+01  0.129157D+02
      3  -0.120804D+02 -0.621496D+01 -0.120611D+00 -0.711938D+00  0.363722D-01
      4  -0.669507D+00  0.668109D+01 -0.495699D+01  0.621310D+01 -0.869023D+01
      5   0.705699D+01  0.317953D+01  0.759396D+01 -0.140417D+01  0.720472D+01
      6   0.120036D+01  0.136263D+02  0.885603D+01  0.532509D+01 -0.853181D+01
                26            27            28            29            30 
      1  -0.139744D+02 -0.582636D+00  0.135316D+02  0.454806D+01  0.194128D+01
      2   0.143706D+02 -0.470558D+01 -0.119701D+02 -0.505543D+01 -0.322111D+01
      3  -0.396212D+00  0.528821D+01 -0.156155D+01  0.507375D+00  0.127983D+01
      4  -0.108279D+01 -0.301539D+01  0.284767D+00  0.664936D+01 -0.134185D+01
      5  -0.176605D+01 -0.589233D+01  0.500617D+01 -0.105205D+01  0.483462D+01
      6  -0.652377D+00 -0.853200D+00  0.910427D+01  0.321893D+01 -0.136188D+01
                31            32            33            34            35 
      1  -0.585359D+01 -0.143488D+02  0.442241D+01 -0.363211D+01  0.778948D+01
      2  -0.366325D+01  0.802132D+01 -0.129953D+02 -0.925875D+00 -0.580611D+01
      3   0.951684D+01  0.632748D+01  0.857287D+01  0.455798D+01 -0.198337D+01
      4  -0.945227D+01 -0.195293D+01  0.170130D+01  0.162439D+02  0.322271D+01
      5   0.129033D+02  0.195684D+01  0.635703D+01  0.145165D+02  0.186310D+01
      6  -0.534502D+01 -0.652880D+01  0.400084D+01  0.440751D+01  0.105425D+02
                36            37            38            39            40 
      1  -0.244786D+01  0.888296D+01  0.206822D+02 -0.136996D+01 -0.204034D+02
      2  -0.149405D+01  0.290600D+01 -0.211918D+02  0.478082D+01  0.173875D+02
      3   0.394191D+01 -0.117890D+02  0.509620D+00 -0.341085D+01  0.301592D+01
      4   0.112686D+01  0.587209D+01 -0.170886D+01  0.611735D+01  0.943787D+01
      5  -0.900723D+00 -0.710104D+01  0.865273D+01 -0.705258D+01  0.167929D+01
      6   0.322818D+01  0.482062D+01 -0.454942D+01 -0.109543D+01 -0.984091D+01
                41            42            43            44            45 
      1   0.551791D+01 -0.969511D+01  0.606444D+01 -0.252944D+01 -0.825321D+01
      2   0.404088D+01  0.107652D+02 -0.976525D+01  0.736217D+01 -0.666788D+01
      3  -0.955878D+01 -0.107008D+01  0.370081D+01 -0.483273D+01  0.149211D+02
      4   0.157761D+01 -0.543800D+01  0.489801D+01 -0.110893D+02  0.522093D+01
      5  -0.453319D+01 -0.396192D+01  0.100121D+02  0.510702D+01 -0.880489D+00
      6   0.125616D+02 -0.701432D+01  0.644317D+01  0.122651D+01 -0.573288D+00
                46            47            48            49            50 
      1  -0.166728D+01 -0.162283D+02  0.754160D+01  0.282549D+02 -0.656029D+01
      2  -0.757353D+01  0.855813D+01 -0.327761D+01 -0.225526D+02  0.466436D+01
      3   0.924081D+01  0.767020D+01 -0.426399D+01 -0.570225D+01  0.189593D+01
      4  -0.989774D+01 -0.990045D+01 -0.176946D+00  0.806861D-01 -0.721455D+01
      5  -0.451527D+01 -0.265762D+01  0.880135D+01  0.924666D+01  0.540751D+01
      6  -0.239542D+01 -0.732480D+01  0.604301D+01  0.106242D+02  0.123751D+02
                51            52            53            54            55 
      1  -0.207243D+01 -0.292428D+02 -0.206705D+02 -0.685584D-02 -0.576640D+02
      2   0.418564D+01  0.175101D+02  0.225637D+02 -0.197907D+01  0.259200D+02
      3  -0.211321D+01  0.117327D+02 -0.189312D+01  0.198593D+01  0.317440D+02
      4   0.577584D+01 -0.794536D+01  0.169676D+01  0.835576D+00  0.121764D+02
      5   0.131198D+01  0.942048D+01 -0.133973D+01 -0.354667D+01  0.158549D+02
      6   0.659396D+01 -0.327374D+01  0.598392D+01  0.389824D+00  0.143312D+00
                56            57            58            59            60 
      1   0.100254D+02  0.118634D+02  0.283666D+02 -0.354370D+01 -0.105916D+02
      2  -0.461482D+01 -0.549637D+01 -0.235736D+02 -0.409182D+01 -0.636289D+01
      3  -0.541054D+01 -0.636699D+01 -0.479301D+01  0.763552D+01  0.169545D+02
      4  -0.188525D+02 -0.749380D+01 -0.275023D+02 -0.422823D+02 -0.186963D+02
      5  -0.801459D+01 -0.139609D+02 -0.108687D+02 -0.177035D+02  0.209296D+02
      6  -0.329988D+01 -0.150258D+01 -0.126862D+02 -0.147571D+02 -0.698972D+01
                61            62            63            64            65 
      1   0.434576D+02 -0.117823D+02  0.465637D+01 -0.446680D+02 -0.248333D+02
      2  -0.118742D+02 -0.274606D+01  0.149394D+02  0.271109D+02  0.102392D+02
      3  -0.315834D+02  0.145284D+02 -0.195958D+02  0.175571D+02  0.145941D+02
      4  -0.112960D+02 -0.706492D+01  0.157830D+02 -0.270787D+02  0.147529D+02
      5  -0.218672D+02  0.157166D+02 -0.357028D+02 -0.639794D+02  0.585838D+01
      6  -0.129102D+01 -0.396499D+01  0.564247D+01  0.110480D+01  0.420910D+00
                66            67            68            69            70 
      1  -0.584281D+02 -0.469350D+02  0.110002D+02  0.573960D+01 -0.942223D+02
      2   0.283483D+02  0.290138D+02 -0.119791D+02 -0.565156D+01  0.458994D+02
      3   0.300798D+02  0.179212D+02  0.978867D+00 -0.880386D-01  0.483229D+02
      4   0.687336D+01  0.910903D+01  0.436634D+02  0.622259D+01  0.155302D+02
      5  -0.366472D+01  0.100650D+02  0.477108D+01 -0.305218D+02 -0.970233D+01
      6   0.115851D+01  0.166591D+01 -0.502444D+00  0.142208D+00 -0.407564D+01
                71            72            73            74            75 
      1   0.103814D+02 -0.166792D+02  0.741476D+01  0.282312D+02  0.397031D+02
      2  -0.708680D+01  0.118547D+02 -0.121509D+02 -0.968408D+01 -0.176264D+02
      3  -0.329463D+01  0.482450D+01  0.473617D+01 -0.185471D+02 -0.220767D+02
      4   0.129046D+02 -0.330511D+02  0.273930D+02 -0.264998D+02 -0.237351D+02
      5  -0.334901D+02  0.139430D+02  0.400487D+02 -0.148454D+02 -0.547347D+01
      6   0.201918D+01  0.260703D+01 -0.194643D+02  0.471657D+01 -0.365973D+00
                76            77            78            79            80 
      1   0.275817D+02 -0.159719D+02 -0.127774D+02  0.499753D+02 -0.220397D+02
      2  -0.120105D+02  0.200255D+02  0.827140D+01 -0.212773D+02  0.126123D+02
      3  -0.155712D+02 -0.405360D+01  0.450600D+01 -0.286980D+02  0.942735D+01
      4  -0.183707D+02 -0.179549D+02 -0.469606D+01 -0.303547D+02 -0.770508D+01
      5  -0.107729D+02 -0.489884D+01  0.294181D+02 -0.110832D+02  0.404573D+02
      6   0.395933D+01  0.576891D+01 -0.156057D+02  0.584559D+01 -0.181126D+02
                81            82            83            84            85 
      1   0.603013D+01  0.353658D+01  0.175706D+02  0.526391D+02  0.287952D+02
      2  -0.116410D+02  0.146735D+02 -0.126523D+02 -0.267524D+02 -0.239059D+02
      3   0.561085D+01 -0.182100D+02 -0.491825D+01 -0.258868D+02 -0.488930D+01
      4   0.409646D+02  0.195573D+02 -0.110115D+02 -0.552110D+01 -0.160917D+02
      5  -0.233794D+02  0.482836D+02 -0.111419D+02 -0.231207D+02 -0.235258D+02
      6   0.123519D+02 -0.335061D+01  0.238296D+01  0.311406D+01  0.345913D+01
                86            87            88            89            90 
      1  -0.116583D+02 -0.134909D+02  0.572860D+02 -0.836926D+01 -0.842175D+01
      2  -0.931741D+01  0.138587D+02 -0.311230D+02  0.108552D+02  0.492398D+01
      3   0.209757D+02 -0.367803D+00 -0.261629D+02 -0.248592D+01  0.349777D+01
      4  -0.621215D+02 -0.151754D+01 -0.105242D+02 -0.138095D+02  0.265894D+02
      5   0.238748D+01  0.303284D+02 -0.198280D+02  0.277103D+02 -0.266975D+01
      6   0.104267D+02  0.342571D+01  0.541435D+01  0.372836D+01 -0.941204D+01
                91            92            93            94            95 
      1  -0.394645D+01  0.107176D+02  0.198637D+02  0.616519D+01  0.607326D+01
      2   0.127940D+01 -0.532732D+01 -0.641730D+01  0.132012D+01  0.255974D+01
      3   0.266705D+01 -0.539029D+01 -0.134464D+02 -0.748532D+01 -0.863300D+01
      4   0.988978D+01 -0.541073D+01 -0.179527D+01 -0.134683D+02  0.127972D+02
      5   0.184266D+02 -0.152200D+01 -0.989832D+01 -0.132377D+02 -0.287837D+02
      6  -0.580785D+00 -0.576213D+01 -0.118574D+01 -0.156622D+02  0.397545D+01
                96            97            98            99           100 
      1   0.354715D+01  0.367839D+02  0.226376D+00 -0.130980D+02 -0.481236D+01
      2   0.519374D+01 -0.159029D+02 -0.388831D+00  0.769096D+01 -0.107691D+01
      3  -0.874089D+01 -0.208810D+02  0.162455D+00  0.540702D+01  0.588928D+01
      4  -0.281109D+02 -0.128095D+02 -0.216736D+02 -0.109056D+00 -0.159464D+02
      5  -0.110742D+02 -0.397518D+02 -0.142958D+00 -0.157204D+01  0.122969D+01
      6  -0.185496D+02 -0.519195D+01 -0.142226D+02 -0.609271D+01  0.149267D+01
               101           102           103           104           105 
      1  -0.114933D+02 -0.751103D+01 -0.367030D+02 -0.180904D+02  0.140067D+02
      2   0.584698D+01  0.285327D+01  0.239615D+02  0.215751D+01 -0.144788D+02
      3   0.564629D+01  0.465775D+01  0.127414D+02  0.159328D+02  0.472132D+00
      4  -0.172065D+02  0.432598D+01 -0.353371D+02 -0.179446D+02  0.212988D+02
      5   0.484223D+01  0.109082D+02  0.259664D+02  0.209260D+02 -0.209059D+02
      6   0.835334D+01 -0.985551D+00  0.103724D+02  0.354511D+01 -0.106372D+02
               106           107           108           109           110 
      1   0.844052D+01  0.780611D+01  0.192326D+02  0.488191D+02  0.264315D+02
      2   0.148316D+01 -0.411044D+01 -0.123525D+02 -0.223246D+02 -0.990922D+01
      3  -0.992368D+01 -0.369567D+01 -0.688018D+01 -0.264945D+02 -0.165223D+02
      4   0.941433D+01  0.318003D+02 -0.780274D+01  0.366676D+02  0.301010D+02
      5   0.210278D+02 -0.733068D+01 -0.807742D+01 -0.180772D+02 -0.730416D+01
      6  -0.422582D+00 -0.555190D+01  0.980499D+00 -0.715405D+01 -0.592983D+01
               111           112           113           114           115 
      1  -0.107802D+02  0.555262D+02  0.150396D+02 -0.793375D+01 -0.218424D+02
      2   0.605690D+01 -0.254237D+02  0.511168D+01  0.572977D+01  0.138981D+02
      3   0.472326D+01 -0.301025D+02 -0.201513D+02  0.220398D+01  0.794429D+01
      4  -0.504907D+01  0.444390D+02  0.684387D+02 -0.158504D+02 -0.121235D+02
      5   0.117778D+02 -0.239090D+02 -0.161753D+02  0.288758D+02  0.214482D+02
      6   0.391211D+01 -0.708682D+01 -0.170258D+02  0.145485D+02  0.376166D+01
               116           117           118           119           120 
      1  -0.211394D+01  0.187920D+01 -0.935789D+00 -0.113480D+02  0.156260D+02
      2   0.117986D+01 -0.680182D+01  0.999086D+01  0.132152D+01 -0.141544D+02
      3   0.934078D+00  0.492262D+01 -0.905507D+01  0.100265D+02 -0.147159D+01
      4  -0.235352D+02  0.201047D+02 -0.894295D+01  0.944856D+01 -0.892228D+01
      5   0.194163D+02 -0.218056D+02  0.238831D+02 -0.570019D+01 -0.244903D+02
      6   0.140563D+02 -0.101518D+02 -0.271655D+01  0.133934D+00  0.362177D+01
               121           122           123           124           125 
      1  -0.253575D+02  0.361030D+01 -0.648180D+01  0.262718D+02 -0.133910D+02
      2   0.676105D+01  0.134997D+02  0.428881D+01 -0.215325D+02  0.680411D+01
      3   0.185965D+02 -0.171100D+02  0.219299D+01 -0.473931D+01  0.658693D+01
      4   0.319527D+02 -0.468034D+02 -0.132099D+02 -0.113149D+02 -0.403793D+00
      5   0.515038D+01 -0.103700D+02 -0.855457D+01 -0.318544D+02  0.409977D+00
      6  -0.641167D+01  0.126377D+02  0.121453D+02  0.469160D+01  0.699230D+01
               126           127           128           129           130 
      1  -0.308968D+02  0.841178D-02  0.113458D+01 -0.290971D+01  0.372791D+01
      2   0.214237D+02 -0.971801D+00  0.431621D+00 -0.144008D+01 -0.270970D+01
      3   0.947313D+01  0.963389D+00 -0.156620D+01  0.434979D+01 -0.101821D+01
      4   0.146362D+01 -0.676294D+01  0.687203D+01 -0.464594D+01  0.770974D+01
      5   0.340060D+02  0.453405D+01 -0.427657D+01  0.543422D+01 -0.420082D+01
      6   0.345314D+00 -0.487755D+01  0.494178D+01 -0.436082D+01  0.626682D+01
               131           132           133           134           135 
      1  -0.159453D+02  0.128780D+02 -0.100186D+01  0.927012D+01 -0.110646D+02
      2   0.114294D+02 -0.401083D+01 -0.918656D+00 -0.475648D+01  0.136889D+01
      3   0.451588D+01 -0.886716D+01  0.192052D+01 -0.451364D+01  0.969568D+01
      4  -0.112249D+02  0.663721D+01 -0.713937D+01  0.885787D+01 -0.706467D+01
      5   0.477954D+01 -0.450570D+01  0.524052D+01 -0.504082D+01  0.742985D+01
      6  -0.169889D+02  0.142470D+02 -0.587109D+01  0.125393D+02 -0.127413D+02
               136           137           138           139           140 
      1   0.361307D+01 -0.208513D+01  0.182174D+00 -0.373416D+01 -0.123913D+02
      2   0.140284D+01  0.518702D+01 -0.632789D+00  0.648224D+01  0.171799D+02
      3  -0.501591D+01 -0.310189D+01  0.450616D+00 -0.274808D+01 -0.478860D+01
      4   0.873408D+01  0.826448D+01 -0.192039D+01  0.998233D+01  0.132277D+02
      5  -0.544651D+01 -0.340837D+01  0.346410D+01 -0.594209D+01 -0.722977D+01
      6  -0.204384D+01 -0.221827D+01  0.228904D+01 -0.493133D+01 -0.915162D+01
               141           142           143           144           145 
      1   0.468929D+01  0.155881D+01  0.566273D+01 -0.322770D+01 -0.324403D+01
      2  -0.356156D+01 -0.206916D+01 -0.602800D+01  0.204314D+01  0.359258D+01
      3  -0.112773D+01  0.510349D+00  0.365262D+00  0.118456D+01 -0.348547D+00
      4  -0.366386D+01 -0.298494D+01 -0.302902D+01  0.264358D+01 -0.820923D+01
      5   0.532043D+01  0.340198D+01  0.318416D+01 -0.272737D+01  0.487585D+01
      6   0.635498D+01  0.287958D+01  0.532892D+01 -0.366291D+01 -0.668438D+01
               146           147           148           149           150 
      1   0.448209D+01 -0.439372D+01  0.681192D+01 -0.235358D+02  0.150284D+02
      2  -0.464730D+01  0.218998D+01 -0.747902D+01  0.261468D+02 -0.116723D+02
      3   0.165209D+00  0.220374D+01  0.667103D+00 -0.261101D+01 -0.335609D+01
      4   0.935083D+01 -0.622351D+01  0.875633D+01 -0.130502D+02  0.696805D+01
      5  -0.423550D+01  0.512782D+01 -0.389846D+01  0.353660D+01 -0.359057D+01
      6   0.679203D+01 -0.614260D+01  0.739358D+01 -0.205533D+02  0.158358D+02
               151           152           153           154           155 
      1  -0.498567D+01  0.150307D+02 -0.118793D+02  0.173464D+01 -0.361992D+01
      2   0.515003D+01 -0.145742D+02  0.744579D+01  0.753906D+01  0.127995D+02
      3  -0.164358D+00 -0.456415D+00  0.443350D+01 -0.927370D+01 -0.917954D+01
      4  -0.682065D+01  0.996939D+01 -0.695011D+01  0.154581D+02  0.160378D+02
      5   0.393173D+01 -0.385158D+01  0.472718D+01 -0.524862D+01 -0.384796D+01
      6  -0.610511D+01  0.143485D+02 -0.128603D+02 -0.154919D+01 -0.958822D+00
               156           157           158           159           160 
      1  -0.927834D+00 -0.229461D+01 -0.168622D+02  0.358022D+01  0.465681D+01
      2  -0.990041D+00  0.125870D+02  0.322559D+02 -0.561973D+01 -0.468054D+01
      3   0.191787D+01 -0.102924D+02 -0.153936D+02  0.203951D+01  0.237293D-01
      4  -0.290664D+01  0.175369D+02  0.246958D+02 -0.552712D+01 -0.309224D+01
      5   0.341966D+01 -0.693848D+01 -0.758215D+01  0.509416D+01  0.181697D+01
      6   0.247902D+01 -0.429973D+01 -0.809574D+01  0.615324D+01  0.284262D+01
               161           162           163           164           165 
      1   0.722158D+01 -0.305507D+01  0.148338D+02  0.766729D+01  0.565308D+00
      2  -0.104620D+02  0.349143D+01 -0.364153D+01 -0.240627D+01 -0.871226D+00
      3   0.324043D+01 -0.436358D+00 -0.111923D+02 -0.526102D+01  0.305918D+00
      4  -0.493902D+01  0.375350D+01  0.160854D+02  0.190912D+02  0.743841D+01
      5   0.398814D+01 -0.225293D+01  0.537500D+01  0.841736D+01  0.890411D+01
      6   0.515438D+01 -0.320246D+01  0.589527D+01  0.485256D+01  0.293055D+01
               166           167           168           169           170 
      1   0.137596D+02 -0.704338D+01 -0.250202D+01 -0.790821D+01 -0.126834D+01
      2  -0.171448D+01  0.176707D+02  0.299609D+01  0.267286D+01  0.452193D+00
      3  -0.120451D+02 -0.106273D+02 -0.494073D+00  0.523535D+01  0.816143D+00
      4   0.272639D+02  0.518541D+02  0.194959D+02  0.554377D+01  0.684117D+01
      5   0.142299D+02  0.188685D+02  0.130121D+02  0.766602D+01  0.754688D+01
      6   0.106809D+02  0.232684D+02  0.135790D+02  0.341115D+01  0.900282D+01
               171           172           173           174           175 
      1  -0.233730D+01  0.677921D+01 -0.368762D+01  0.581393D+01 -0.137368D+02
      2  -0.762483D+00 -0.833134D+01  0.230197D+01 -0.517223D+01  0.112615D+02
      3   0.309979D+01  0.155213D+01  0.138565D+01 -0.641694D+00  0.247534D+01
      4   0.811353D+01 -0.508386D+01  0.499527D+01 -0.667445D+00  0.679346D+01
      5   0.100401D+02  0.980800D+01 -0.165945D+01  0.152840D+02 -0.827289D+01
      6   0.582556D+01 -0.211224D+01  0.107964D+01 -0.330493D-01  0.301843D+01
               176           177           178           179           180 
      1  -0.149510D+01  0.575445D+01  0.481943D+01  0.259389D+01 -0.173646D+02
      2  -0.175088D+01  0.693344D+01 -0.121116D+02  0.346967D+01 -0.243690D+02
      3   0.324598D+01 -0.126879D+02  0.729212D+01 -0.606356D+01  0.417336D+02
      4  -0.335747D+01  0.971516D+01 -0.141002D+01  0.722739D+01 -0.802016D+01
      5   0.100334D+02 -0.206342D+02  0.240669D+02 -0.795152D+01  0.551148D+02
      6  -0.313757D+01  0.715455D+01 -0.109458D+01  0.606822D+01 -0.234017D+01
               181           182           183           184           185 
      1   0.123032D+03  0.121892D+02  0.390131D+02  0.179229D+02  0.133412D+02
      2  -0.657972D+02 -0.759984D+01 -0.215739D+02 -0.910087D+01 -0.516938D+01
      3  -0.572352D+02 -0.458938D+01 -0.174393D+02 -0.882203D+01 -0.817185D+01
      4   0.106809D+02  0.139283D+02  0.175923D+01  0.199872D+02  0.689881D+00
      5   0.447745D+02  0.254819D+01  0.276827D+02  0.294597D+01  0.660168D+01
      6   0.132002D+01  0.104860D+01  0.898247D+00  0.334286D+01  0.125844D+01
               186           187           188           189           190 
      1   0.278501D+01  0.489911D+02  0.175770D+01  0.262429D+02  0.583959D+00
      2  -0.121959D+01 -0.290927D+02 -0.154416D+01 -0.188000D+02  0.968602D+00
      3  -0.156541D+01 -0.198984D+02 -0.213534D+00 -0.744289D+01 -0.155256D+01
      4   0.660450D+01  0.609621D+00  0.547869D+01  0.603378D+01 -0.889314D+01
      5   0.682307D+01  0.349593D+02  0.675607D+01  0.240763D+02  0.407299D+01
      6   0.327385D+01  0.865335D+00  0.230794D+01  0.872350D+00 -0.202163D+01
               191           192           193           194           195 
      1  -0.939468D+01  0.420604D+01 -0.619049D+01 -0.835485D+01  0.764715D+01
      2   0.461468D+01 -0.275730D+01  0.125916D+01  0.149016D+02 -0.104067D+02
      3   0.478000D+01 -0.144874D+01  0.493133D+01 -0.654677D+01  0.275960D+01
      4   0.705171D+01 -0.219002D+01  0.100343D+02 -0.232322D+02  0.168349D+02
      5  -0.144508D+01  0.552798D+01 -0.282512D+01  0.171281D+02 -0.186846D+02
      6  -0.295112D+00 -0.376850D+00  0.136419D+01 -0.134328D+02  0.157399D+02
               196           197           198           199           200 
      1   0.707221D+01  0.975222D+01 -0.114771D+02 -0.392629D+02 -0.116371D+02
      2  -0.236038D+01 -0.134991D+02  0.612521D+01  0.211313D+02  0.115999D+02
      3  -0.471183D+01  0.374689D+01  0.535187D+01  0.181316D+02  0.371709D-01
      4  -0.866843D+01  0.298678D+02 -0.273546D+02  0.113977D+02 -0.791993D+01
      5   0.853665D+01 -0.273382D+02  0.426012D+02 -0.797040D+01 -0.131522D+01
      6  -0.362591D+01  0.186072D+02 -0.255654D+02  0.786061D+01  0.347319D+01
               201           202           203           204           205 
      1  -0.159266D+02 -0.836344D+01 -0.855623D+01 -0.255772D+01 -0.187698D+02
      2   0.796945D+01  0.678831D+01  0.797661D+01  0.306290D+01  0.890501D+01
      3   0.795719D+01  0.157513D+01  0.579615D+00 -0.505176D+00  0.986480D+01
      4   0.333889D+01  0.171315D+01 -0.279658D+01 -0.140636D+00  0.580643D+01
      5  -0.692538D+01 -0.224892D+00 -0.137011D+01 -0.422491D+01 -0.267569D+01
      6   0.695714D+01  0.237975D+01  0.209556D+01  0.505971D+01  0.401503D+01
               206           207           208           209           210 
      1  -0.510125D+01 -0.132758D+02  0.546543D+02 -0.254064D+02 -0.205799D+02
      2   0.498387D+01  0.675761D+01 -0.191876D+02  0.279858D+01  0.891272D+01
      3   0.117372D+00  0.651823D+01 -0.354667D+02  0.226079D+02  0.116672D+02
      4  -0.507807D+01 -0.444747D+01 -0.491965D+02  0.393497D+02  0.183435D+02
      5  -0.750690D+01 -0.539440D+01 -0.275537D+02  0.140019D+02  0.200295D+02
      6   0.684888D+01  0.491274D+01  0.117748D+02 -0.715322D+01 -0.864889D+01
               211           212           213           214           215 
      1  -0.175615D+02  0.141762D+02  0.540245D+01 -0.267095D+02  0.112941D+02
      2   0.383580D-01  0.312764D+01  0.898327D+00  0.104340D+02  0.478467D-01
      3   0.175232D+02 -0.173038D+02 -0.630078D+01  0.162755D+02 -0.113420D+02
      4   0.329239D+02 -0.302205D+02 -0.129058D+02  0.278424D+02 -0.242159D+02
      5   0.111864D+02 -0.114453D+02 -0.109983D+02  0.247979D+02 -0.189911D+02
      6  -0.690941D+01  0.749727D+01  0.825746D+01 -0.108273D+02  0.110922D+02
               216           217           218           219           220 
      1   0.126131D+02 -0.423619D+02 -0.337401D+01 -0.209481D+02 -0.516814D+01
      2  -0.515073D+01  0.148813D+02  0.139119D+01  0.201048D+01  0.310903D+01
      3  -0.746235D+01  0.274806D+02  0.198282D+01  0.189376D+02  0.205912D+01
      4  -0.217089D+02 -0.777836D+01 -0.508868D+01  0.452186D+00  0.399857D+00
      5  -0.197055D+02  0.200344D+01  0.262978D+01 -0.100831D+02  0.121722D+01
      6   0.922861D+01  0.811530D+00  0.324975D+01 -0.143450D+01  0.150062D+01
               221           222           223           224           225 
      1  -0.461719D+01 -0.187000D+01 -0.218556D+02  0.116992D+00 -0.171603D+02
      2   0.369500D+01 -0.125960D+01  0.604285D+01 -0.129317D+01 -0.182202D+01
      3   0.922196D+00  0.312960D+01  0.158127D+02  0.117618D+01  0.189823D+02
      4   0.510144D+01 -0.265760D+01 -0.182126D+01 -0.288176D+01 -0.230044D+01
      5  -0.209808D+01 -0.539607D+01  0.133488D+01 -0.790835D+00 -0.126899D+02
      6  -0.821191D+00  0.311338D+01 -0.106320D+01  0.256681D+01 -0.110256D+01
               226           227           228           229           230 
      1   0.965463D+01  0.108108D+02 -0.606237D+01  0.145858D+02  0.277722D+01
      2  -0.338186D+01 -0.218555D+01  0.365870D+01 -0.224775D+01  0.213471D+02
      3  -0.627277D+01 -0.862525D+01  0.240367D+01 -0.123381D+02 -0.241243D+02
      4   0.138079D+02  0.178063D+02 -0.986918D+00  0.261410D+02  0.773244D+02
      5  -0.741496D+01 -0.208205D+01  0.589023D+01 -0.696462D+01 -0.105972D+02
      6  -0.185084D+01 -0.267524D+01  0.840126D+00 -0.558648D+01 -0.189331D+02
               231           232           233           234           235 
      1   0.707334D+00 -0.927251D+00  0.308885D+01 -0.451307D+00  0.668869D+02
      2   0.120724D+01  0.163407D+01  0.484280D+00  0.869071D+00 -0.453826D+02
      3  -0.191457D+01 -0.706819D+00 -0.357313D+01 -0.417763D+00 -0.215043D+02
      4  -0.868032D+01  0.187558D+01  0.559657D+01  0.533996D+01 -0.672431D+01
      5   0.111440D+02  0.471136D+01  0.516592D+01  0.766359D-01 -0.562530D+02
      6   0.730559D+01  0.898134D+00  0.579990D+01 -0.743844D+00  0.222799D+01
               236           237           238           239           240 
      1  -0.915711D+01 -0.359886D+02 -0.225632D+02  0.105460D+02  0.112353D+02
      2   0.671506D+01  0.284223D+02  0.157962D+02 -0.523156D+01 -0.107616D+02
      3   0.244205D+01  0.756626D+01  0.676697D+01 -0.531445D+01 -0.473726D+00
      4   0.135707D+02  0.314394D+01  0.147826D+02 -0.477293D+01 -0.819097D+01
      5   0.680808D+01  0.423413D+02  0.206651D+02 -0.102521D+02 -0.210927D+02
      6  -0.498599D+01 -0.867688D+00 -0.560735D+01  0.295355D+01  0.444931D+01
               241           242           243           244           245 
      1  -0.337320D+02  0.352552D+01  0.227036D+02  0.207673D+01 -0.706633D+01
      2   0.284439D+02 -0.447752D+01 -0.262163D+02 -0.473080D+00  0.352891D+01
      3   0.528810D+01  0.952002D+00  0.351276D+01 -0.160365D+01  0.353742D+01
      4   0.335850D+01 -0.578153D+01 -0.589293D+01 -0.111775D+02  0.915222D+01
      5   0.446215D+02 -0.824454D+01 -0.435047D+02  0.574364D+01 -0.482594D+01
      6  -0.159359D+01  0.385639D+01  0.167413D+01 -0.634128D+01  0.302677D+01
               246           247           248           249           250 
      1   0.863946D+00 -0.920612D+01 -0.502126D+01  0.451625D+01 -0.549277D+00
      2  -0.114394D+01  0.355409D+01  0.718162D+01 -0.116239D+01 -0.160301D+01
      3   0.279994D+00  0.565203D+01 -0.216035D+01 -0.335386D+01  0.215229D+01
      4  -0.440606D+01  0.130822D+02 -0.285865D+02  0.137707D+02 -0.533220D+01
      5   0.797379D+01 -0.679753D+01  0.140263D+02 -0.132646D+02  0.118204D+02
      6  -0.190211D+01  0.539314D+01 -0.162077D+02  0.104426D+02 -0.360442D+01
               251           252           253           254           255 
      1   0.206748D+01 -0.311540D+01 -0.317858D+02 -0.131488D+02 -0.480485D+02
      2   0.135944D+01 -0.356013D+01  0.371246D+02  0.119687D+02  0.156681D+02
      3  -0.342691D+01  0.667552D+01 -0.533885D+01  0.118008D+01  0.323804D+02
      4   0.134888D+02 -0.101720D+02 -0.203916D+02  0.270101D+01 -0.133256D+02
      5  -0.978433D+01  0.154678D+02 -0.610444D+02 -0.913559D+01 -0.161513D+02
      6   0.109208D+02 -0.820260D+01 -0.128062D+02  0.112464D+01 -0.269139D+00
               256           257           258           259           260 
      1  -0.214583D+01  0.248625D+01 -0.156156D+02 -0.395904D+02 -0.132893D+02
      2   0.343025D+01 -0.201389D+02  0.977695D+01  0.110438D+02  0.152409D+02
      3  -0.128442D+01  0.176526D+02  0.583863D+01  0.285466D+02 -0.195154D+01
      4   0.124537D+02 -0.642488D+01  0.198697D+02 -0.543152D+01  0.185524D+02
      5   0.286928D+01  0.240166D+02  0.118215D+02 -0.259792D+01  0.380835D+01
      6   0.111274D+02  0.482084D+01  0.185892D+02  0.649405D+01  0.141266D+02
               261           262           263           264           265 
      1   0.106967D+02  0.406102D+02 -0.108296D+02 -0.261888D+02  0.461506D+01
      2   0.504926D+01 -0.263809D+02  0.610915D+01  0.187050D+02 -0.578577D+01
      3  -0.157459D+02 -0.142293D+02  0.472044D+01  0.748387D+01  0.117070D+01
      4   0.933395D+01 -0.196136D+02  0.125732D+02  0.126257D+02  0.635204D+01
      5   0.310634D+01 -0.377828D+02  0.111039D+02  0.324674D+02 -0.495840D+01
      6   0.412058D+01  0.684694D+01 -0.333999D+01 -0.582977D+01 -0.223660D+01
               266           267           268           269           270 
      1   0.214119D+01 -0.444124D+01 -0.319666D+02  0.831183D+01  0.241176D+02
      2  -0.624563D+00  0.536868D+01  0.258071D+02 -0.587309D+01 -0.261156D+02
      3  -0.151662D+01 -0.927441D+00  0.615949D+01 -0.243874D+01  0.199800D+01
      4  -0.681155D+01 -0.488276D+01  0.187437D+02 -0.153335D+02 -0.186681D+02
      5  -0.498339D+01  0.453894D+01  0.474307D+02 -0.163779D+02 -0.537322D+02
      6   0.254810D+01  0.323104D+01 -0.840946D+01  0.646514D+01  0.110575D+02
               271           272           273           274           275 
      1   0.101196D+01  0.751479D+01  0.394160D+01  0.773390D+01 -0.171598D+02
      2   0.115085D+01 -0.676758D+01 -0.802249D-01 -0.471337D+01  0.351836D+02
      3  -0.216281D+01 -0.747212D+00 -0.386137D+01 -0.302053D+01 -0.180238D+02
      4   0.412234D+01  0.549195D+00  0.797103D+00  0.596478D+01  0.290757D+02
      5   0.268509D+01  0.272283D+01  0.107694D+01  0.535457D+01 -0.552163D+01
      6   0.172273D+01 -0.208432D+01 -0.131918D+01  0.595972D+00  0.142386D+02
               276           277           278           279           280 
      1  -0.157949D+00 -0.140995D+01  0.485705D+01 -0.260035D+01  0.684661D+02
      2  -0.692866D+01  0.215288D+01 -0.107724D+02  0.457142D+01 -0.491365D+02
      3   0.708661D+01 -0.742930D+00  0.591532D+01 -0.197107D+01 -0.193296D+02
      4  -0.227066D+01 -0.170628D+01 -0.106252D+02  0.116613D+01  0.289662D+02
      5   0.824495D+01 -0.140722D+01  0.261954D+01 -0.716796D+01  0.674942D+02
      6   0.353009D+01 -0.137489D+01 -0.196022D+01 -0.240757D+01  0.134350D+02
               281           282           283           284           285 
      1   0.768637D+01  0.240160D+02  0.878981D+00  0.514958D+01  0.138578D+01
      2  -0.439600D+01 -0.241839D+02  0.150055D+01 -0.783967D+00  0.843543D-01
      3  -0.329036D+01  0.167907D+00 -0.237953D+01 -0.436561D+01 -0.147013D+01
      4   0.156432D+02  0.144465D+02  0.123728D+02  0.655556D+01  0.489404D+01
      5   0.131372D+02  0.413204D+02  0.264282D+01  0.614347D+01  0.792286D+00
      6   0.919089D+01  0.100253D+02  0.660806D+01  0.316926D+01  0.384542D+01
               286           287           288           289           290 
      1   0.175008D+02  0.211042D+01  0.816515D+01 -0.144216D+02  0.540268D+01
      2  -0.189812D+02 -0.296250D+01 -0.164252D+02 -0.202114D+01 -0.287530D+01
      3   0.148042D+01  0.852073D+00  0.826006D+01  0.164428D+02 -0.252738D+01
      4   0.102801D+02  0.474297D+01  0.684046D+01 -0.287014D+01 -0.262073D+01
      5   0.341480D+02  0.659804D+01  0.283427D+02  0.143112D+01 -0.114087D+01
      6   0.704240D+01  0.434452D+01  0.727592D+01  0.370503D+01 -0.561247D+01
               291           292           293           294           295 
      1   0.273032D+02 -0.158090D+01 -0.569394D+01  0.276373D+01  0.184455D+02
      2   0.210039D+01  0.141708D+00  0.251817D+01  0.232661D+01 -0.134826D+01
      3  -0.294036D+02  0.143919D+01  0.317577D+01 -0.509034D+01 -0.170973D+02
      4   0.281989D+01 -0.590084D+00 -0.329311D+00  0.299041D+00  0.473398D+01
      5  -0.297405D+01 -0.548285D+00 -0.178032D+01 -0.437175D+01  0.461875D+01
      6  -0.748388D+01 -0.320183D+01  0.803059D+00  0.474304D+01 -0.302245D+01
               296           297 
      1  -0.374031D+01 -0.354622D+02
      2   0.548367D-01 -0.122238D+02
      3   0.368547D+01  0.476860D+02
      4   0.173465D+01 -0.228187D+01
      5   0.222849D+01  0.168016D+02
      6   0.656573D+01  0.117549D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 15:53:55 2021, MaxMem=  6442450944 cpu:           91804.0 elap:           11484.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20195 -19.14603 -10.32323 -10.21165 -10.20075
 Alpha  occ. eigenvalues --  -10.19437 -10.19052 -10.19039 -10.18820 -10.18797
 Alpha  occ. eigenvalues --  -10.18749 -10.18382 -10.18250 -10.17121 -10.17087
 Alpha  occ. eigenvalues --   -1.12084  -1.03163  -0.87474  -0.82857  -0.80260
 Alpha  occ. eigenvalues --   -0.75407  -0.74913  -0.69062  -0.68758  -0.67704
 Alpha  occ. eigenvalues --   -0.61876  -0.61112  -0.57750  -0.56026  -0.51596
 Alpha  occ. eigenvalues --   -0.50697  -0.49236  -0.47680  -0.46660  -0.45886
 Alpha  occ. eigenvalues --   -0.45004  -0.43591  -0.43046  -0.42632  -0.42239
 Alpha  occ. eigenvalues --   -0.41646  -0.39449  -0.38521  -0.38069  -0.37398
 Alpha  occ. eigenvalues --   -0.36773  -0.36444  -0.35116  -0.34143  -0.33410
 Alpha  occ. eigenvalues --   -0.33364  -0.33185  -0.32028  -0.28848  -0.26010
 Alpha  occ. eigenvalues --   -0.24521
 Alpha virt. eigenvalues --   -0.02704  -0.01955  -0.01295  -0.00888   0.00022
 Alpha virt. eigenvalues --    0.00119   0.00612   0.01128   0.01616   0.01941
 Alpha virt. eigenvalues --    0.02680   0.02973   0.03441   0.03573   0.04189
 Alpha virt. eigenvalues --    0.04967   0.05291   0.05629   0.06221   0.06497
 Alpha virt. eigenvalues --    0.06668   0.07148   0.07349   0.07686   0.08053
 Alpha virt. eigenvalues --    0.08243   0.08605   0.08949   0.09285   0.09470
 Alpha virt. eigenvalues --    0.09962   0.10164   0.10400   0.10705   0.10797
 Alpha virt. eigenvalues --    0.11075   0.11600   0.11818   0.12102   0.12312
 Alpha virt. eigenvalues --    0.12469   0.12722   0.12901   0.13185   0.13565
 Alpha virt. eigenvalues --    0.14247   0.14530   0.14626   0.14884   0.15304
 Alpha virt. eigenvalues --    0.15479   0.15667   0.16076   0.16204   0.16620
 Alpha virt. eigenvalues --    0.17144   0.17380   0.17627   0.17891   0.18456
 Alpha virt. eigenvalues --    0.18684   0.19018   0.19419   0.19778   0.20402
 Alpha virt. eigenvalues --    0.20785   0.21354   0.21686   0.22148   0.22348
 Alpha virt. eigenvalues --    0.22476   0.23237   0.23437   0.23581   0.23627
 Alpha virt. eigenvalues --    0.23968   0.24200   0.24608   0.24794   0.25305
 Alpha virt. eigenvalues --    0.25533   0.26029   0.26163   0.26816   0.27165
 Alpha virt. eigenvalues --    0.27447   0.27553   0.28071   0.28443   0.28793
 Alpha virt. eigenvalues --    0.29526   0.29706   0.30141   0.30474   0.30895
 Alpha virt. eigenvalues --    0.31118   0.31765   0.32316   0.32680   0.33033
 Alpha virt. eigenvalues --    0.33412   0.33531   0.34267   0.34372   0.35019
 Alpha virt. eigenvalues --    0.35154   0.35544   0.35997   0.36555   0.36700
 Alpha virt. eigenvalues --    0.37096   0.37389   0.37642   0.38097   0.38414
 Alpha virt. eigenvalues --    0.38613   0.38904   0.39419   0.39931   0.40167
 Alpha virt. eigenvalues --    0.40609   0.40882   0.41313   0.42014   0.42140
 Alpha virt. eigenvalues --    0.42616   0.42671   0.42794   0.43534   0.44323
 Alpha virt. eigenvalues --    0.44864   0.45432   0.46234   0.46501   0.47097
 Alpha virt. eigenvalues --    0.47277   0.47964   0.48334   0.48783   0.49224
 Alpha virt. eigenvalues --    0.49283   0.50013   0.50344   0.50765   0.51156
 Alpha virt. eigenvalues --    0.51955   0.52336   0.52942   0.53259   0.53688
 Alpha virt. eigenvalues --    0.54185   0.54552   0.55059   0.55422   0.56067
 Alpha virt. eigenvalues --    0.56377   0.56966   0.57452   0.57559   0.58284
 Alpha virt. eigenvalues --    0.58350   0.58994   0.59383   0.59572   0.60248
 Alpha virt. eigenvalues --    0.60368   0.60618   0.61141   0.61767   0.61920
 Alpha virt. eigenvalues --    0.62342   0.62520   0.63217   0.63655   0.63851
 Alpha virt. eigenvalues --    0.64083   0.64857   0.65089   0.65887   0.66037
 Alpha virt. eigenvalues --    0.66353   0.67094   0.67261   0.67703   0.68212
 Alpha virt. eigenvalues --    0.68410   0.68646   0.69244   0.69955   0.70161
 Alpha virt. eigenvalues --    0.70705   0.70925   0.71540   0.72410   0.72874
 Alpha virt. eigenvalues --    0.73585   0.74189   0.74441   0.74715   0.75268
 Alpha virt. eigenvalues --    0.75824   0.76345   0.77080   0.77770   0.77839
 Alpha virt. eigenvalues --    0.78140   0.78665   0.79240   0.79727   0.79906
 Alpha virt. eigenvalues --    0.81010   0.81469   0.82528   0.82980   0.83244
 Alpha virt. eigenvalues --    0.84006   0.84586   0.85469   0.85769   0.85955
 Alpha virt. eigenvalues --    0.87086   0.87848   0.88069   0.88483   0.90107
 Alpha virt. eigenvalues --    0.90551   0.90785   0.92199   0.92645   0.93640
 Alpha virt. eigenvalues --    0.94296   0.95294   0.96255   0.96845   0.97251
 Alpha virt. eigenvalues --    0.97767   0.99254   1.00037   1.00839   1.01824
 Alpha virt. eigenvalues --    1.02171   1.02462   1.03988   1.05783   1.06127
 Alpha virt. eigenvalues --    1.06961   1.07152   1.07646   1.08422   1.09161
 Alpha virt. eigenvalues --    1.09955   1.11034   1.11228   1.13351   1.13735
 Alpha virt. eigenvalues --    1.15553   1.16030   1.16707   1.17733   1.18447
 Alpha virt. eigenvalues --    1.18919   1.19606   1.19796   1.21702   1.22094
 Alpha virt. eigenvalues --    1.24377   1.25720   1.26882   1.29338   1.30923
 Alpha virt. eigenvalues --    1.31446   1.33346   1.33556   1.34767   1.36324
 Alpha virt. eigenvalues --    1.37100   1.38312   1.38757   1.39285   1.40207
 Alpha virt. eigenvalues --    1.40838   1.42241   1.42294   1.45560   1.45610
 Alpha virt. eigenvalues --    1.46370   1.47028   1.48225   1.48751   1.49634
 Alpha virt. eigenvalues --    1.50168   1.51355   1.52295   1.53104   1.54228
 Alpha virt. eigenvalues --    1.54416   1.55331   1.56062   1.56756   1.57630
 Alpha virt. eigenvalues --    1.59070   1.60208   1.60550   1.60892   1.61780
 Alpha virt. eigenvalues --    1.63486   1.64510   1.65550   1.66155   1.66550
 Alpha virt. eigenvalues --    1.68052   1.68512   1.69244   1.69697   1.70009
 Alpha virt. eigenvalues --    1.71336   1.72404   1.72975   1.73645   1.74026
 Alpha virt. eigenvalues --    1.74742   1.75990   1.76549   1.79046   1.79694
 Alpha virt. eigenvalues --    1.80009   1.80787   1.81586   1.81843   1.82572
 Alpha virt. eigenvalues --    1.84190   1.84697   1.85921   1.86310   1.87118
 Alpha virt. eigenvalues --    1.88127   1.89259   1.89886   1.90193   1.90430
 Alpha virt. eigenvalues --    1.90695   1.91695   1.92777   1.93491   1.93944
 Alpha virt. eigenvalues --    1.95195   1.95393   1.96543   1.98027   1.99301
 Alpha virt. eigenvalues --    1.99901   2.00921   2.02006   2.02416   2.04178
 Alpha virt. eigenvalues --    2.04630   2.05794   2.06684   2.06937   2.07637
 Alpha virt. eigenvalues --    2.09257   2.10413   2.11107   2.11417   2.13221
 Alpha virt. eigenvalues --    2.14498   2.14821   2.15167   2.15477   2.16590
 Alpha virt. eigenvalues --    2.17568   2.18226   2.19934   2.20461   2.20900
 Alpha virt. eigenvalues --    2.21731   2.23882   2.25868   2.26237   2.28048
 Alpha virt. eigenvalues --    2.28438   2.29523   2.29930   2.30630   2.30855
 Alpha virt. eigenvalues --    2.31548   2.32216   2.32528   2.33887   2.34901
 Alpha virt. eigenvalues --    2.36658   2.38151   2.42923   2.44034   2.45066
 Alpha virt. eigenvalues --    2.45941   2.47291   2.48413   2.49051   2.51901
 Alpha virt. eigenvalues --    2.52159   2.52579   2.53993   2.55268   2.57448
 Alpha virt. eigenvalues --    2.59958   2.61564   2.61734   2.63706   2.66557
 Alpha virt. eigenvalues --    2.67973   2.69024   2.70057   2.72477   2.73329
 Alpha virt. eigenvalues --    2.76307   2.78377   2.79019   2.81225   2.82096
 Alpha virt. eigenvalues --    2.85425   2.86217   2.88541   2.90353   2.92629
 Alpha virt. eigenvalues --    2.93471   3.02426   3.07604   3.08602   3.10553
 Alpha virt. eigenvalues --    3.16856   3.23006   3.23999   3.33015   3.35000
 Alpha virt. eigenvalues --    3.37168   3.42754   3.43471   3.46165   3.46836
 Alpha virt. eigenvalues --    3.51315   3.53165   3.62742   3.65669   3.70179
 Alpha virt. eigenvalues --    3.72230   3.82716   3.89837   4.01397   4.80609
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   34.544400  -8.751902  -6.849975  -1.259096   1.200944 -10.390918
     2  C   -8.751902  26.613630  -0.475154  -4.598246  -4.377967  -2.704386
     3  C   -6.849975  -0.475154  36.643596  -7.366150 -12.319257   0.343308
     4  C   -1.259096  -4.598246  -7.366150  31.381375  -4.049315  -4.332272
     5  C    1.200944  -4.377967 -12.319257  -4.049315  28.337138  -1.710793
     6  C  -10.390918  -2.704386   0.343308  -4.332272  -1.710793  25.956877
     7  C   -0.314205  -2.621027  -0.497191  -0.382413  -0.880464   0.501007
     8  C    0.258722   0.246649   0.192355  -0.097345   0.281481  -0.222153
     9  C    0.009248  -0.057593  -0.148201   0.056279  -0.022024  -0.224886
    10  C   -0.206757  -0.311066   0.032435   0.018329  -0.227023   0.202540
    11  C   -0.019004  -0.130249   0.408621  -7.217852   0.446666  -0.390895
    12  C    0.178092   0.101319  -0.959937   1.112036  -0.122089  -0.280383
    13  O   -0.066465  -0.004030   0.157950  -0.093070  -0.008077   0.013807
    14  O   -0.054713   0.008724   0.101481  -0.034836  -0.006974   0.033025
    15  H   -4.875375   3.022908   0.772394  -1.187943  -0.277662   1.206545
    16  H    1.397713  -1.025892  -5.111604   2.248223   1.096231  -0.356425
    17  H   -0.658887   0.292540   0.727383   0.848589  -3.374883   0.911514
    18  H    0.505334   0.657271  -0.484273   0.404454   0.886050  -2.931605
    19  H   -0.788463  -0.334543  -0.214650  -0.002489   0.623105   0.699202
    20  H    1.205688  -0.446992   0.548716   0.185121  -0.422262  -0.731771
    21  H   -0.089490   0.034101  -0.004944   0.004587   0.034986   0.078494
    22  H    0.179919  -0.028361   0.086172   0.026924  -0.007972  -0.010366
    23  H    0.106031   0.122713  -0.140048   0.012326   0.048297  -0.085243
    24  H   -0.156316   0.013328   0.036818  -0.022966  -0.003146   0.036780
    25  H   -0.111793   0.038861   0.048494   0.053889  -0.153591   0.179900
    26  H    0.032172   0.075951   0.022080  -0.001260   0.047359   0.061267
    27  H    0.047875  -0.007651  -0.017579  -0.012067   0.006022  -0.096932
    28  H   -0.033550   0.003668  -0.199667   0.855172   0.121166  -0.047796
    29  C    0.059816  -0.084067  -0.576032  -0.923338   0.449021  -0.060543
    30  H    0.011545   0.001792  -0.023463   0.036767  -0.006451  -0.007148
    31  H   -0.074839  -0.037084  -0.305672  -0.107572   0.209676   0.009802
    32  H    0.004117   0.051891   0.147389   1.184637  -0.316774  -0.020219
    33  H   -0.009881  -0.045451   0.094555  -0.917814   0.206765   0.042007
               7          8          9         10         11         12
     1  C   -0.314205   0.258722   0.009248  -0.206757  -0.019004   0.178092
     2  C   -2.621027   0.246649  -0.057593  -0.311066  -0.130249   0.101319
     3  C   -0.497191   0.192355  -0.148201   0.032435   0.408621  -0.959937
     4  C   -0.382413  -0.097345   0.056279   0.018329  -7.217852   1.112036
     5  C   -0.880464   0.281481  -0.022024  -0.227023   0.446666  -0.122089
     6  C    0.501007  -0.222153  -0.224886   0.202540  -0.390895  -0.280383
     7  C   12.040638  -1.448495   0.285256   0.377496  -0.411406   0.007877
     8  C   -1.448495   9.385090  -0.658302  -0.636718   0.045740  -0.005812
     9  C    0.285256  -0.658302   5.336225  -0.278390  -0.023690   0.005298
    10  C    0.377496  -0.636718  -0.278390   5.367065  -0.018403  -0.001717
    11  C   -0.411406   0.045740  -0.023690  -0.018403  17.392392  -3.070880
    12  C    0.007877  -0.005812   0.005298  -0.001717  -3.070880   8.393437
    13  O   -0.001454  -0.000123   0.000035   0.000080   0.148938  -0.142704
    14  O    0.000542   0.000225  -0.000239  -0.000011   0.159937  -0.351553
    15  H   -0.321090  -0.007964   0.014212   0.013087   0.033817   0.005298
    16  H    0.162953  -0.017215   0.018765   0.001033  -0.275892   0.189073
    17  H    0.202943  -0.033291  -0.000028   0.030419  -0.204573  -0.060879
    18  H   -0.635378   0.044444   0.030592  -0.082782   0.186094   0.004804
    19  H   -0.545093   0.198843   0.017076   0.010848  -0.014341   0.001144
    20  H   -0.873811   0.189284  -0.025897   0.009357  -0.006321  -0.000298
    21  H    0.136415  -1.717743   0.199872   0.177280   0.003191  -0.000083
    22  H   -0.237051   0.444868  -0.412612  -0.002375  -0.001822  -0.000342
    23  H   -0.208673  -0.127072   0.559443  -0.262621   0.015721  -0.000795
    24  H    0.101922   0.063245  -0.019202   0.152647  -0.001747   0.000592
    25  H   -0.169076  -0.149593  -0.263556   0.560030  -0.011727   0.001837
    26  H   -0.213242   0.421639  -0.007497  -0.385627   0.000287   0.000492
    27  H    0.082575   0.094434   0.139755  -0.021351  -0.000179  -0.000445
    28  H   -0.017721   0.002347   0.000047  -0.001834  -2.121243   0.318408
    29  C   -0.054362  -0.000545  -0.003651   0.001080   0.624204  -0.075991
    30  H    0.000226  -0.000093   0.000061   0.000014   0.012537  -0.074055
    31  H   -0.009111  -0.000459  -0.000988   0.000745  -0.311328   0.065068
    32  H    0.003104  -0.000045  -0.000181  -0.000118  -0.640446   0.044725
    33  H   -0.015212   0.003866   0.000157  -0.001121   0.896410  -0.154989
              13         14         15         16         17         18
     1  C   -0.066465  -0.054713  -4.875375   1.397713  -0.658887   0.505334
     2  C   -0.004030   0.008724   3.022908  -1.025892   0.292540   0.657271
     3  C    0.157950   0.101481   0.772394  -5.111604   0.727383  -0.484273
     4  C   -0.093070  -0.034836  -1.187943   2.248223   0.848589   0.404454
     5  C   -0.008077  -0.006974  -0.277662   1.096231  -3.374883   0.886050
     6  C    0.013807   0.033025   1.206545  -0.356425   0.911514  -2.931605
     7  C   -0.001454   0.000542  -0.321090   0.162953   0.202943  -0.635378
     8  C   -0.000123   0.000225  -0.007964  -0.017215  -0.033291   0.044444
     9  C    0.000035  -0.000239   0.014212   0.018765  -0.000028   0.030592
    10  C    0.000080  -0.000011   0.013087   0.001033   0.030419  -0.082782
    11  C    0.148938   0.159937   0.033817  -0.275892  -0.204573   0.186094
    12  C   -0.142704  -0.351553   0.005298   0.189073  -0.060879   0.004804
    13  O    8.571775   0.021381  -0.001342  -0.042816   0.005606  -0.000137
    14  O    0.021381   8.409921  -0.000963  -0.017196   0.015264   0.000008
    15  H   -0.001342  -0.000963   4.378732  -0.483457  -0.027567   0.010930
    16  H   -0.042816  -0.017196  -0.483457   4.441454   0.003275  -0.022253
    17  H    0.005606   0.015264  -0.027567   0.003275   4.083853  -0.469797
    18  H   -0.000137   0.000008   0.010930  -0.022253  -0.469797   4.073930
    19  H   -0.000049  -0.000203   0.024092   0.001753   0.018846  -0.117003
    20  H   -0.000060   0.000101  -0.113454   0.005077  -0.003666   0.035861
    21  H   -0.000020   0.000015   0.016122  -0.001478  -0.003429   0.021671
    22  H    0.000024   0.000015  -0.014657  -0.003011   0.001576  -0.005532
    23  H   -0.000005   0.000117  -0.025174  -0.000977  -0.000510   0.017068
    24  H   -0.000005  -0.000028   0.012571   0.001881  -0.001012   0.001099
    25  H   -0.000103   0.000066   0.022682  -0.002919   0.000659  -0.033161
    26  H    0.000015   0.000007  -0.010772   0.002832   0.006096  -0.039295
    27  H    0.000003  -0.000005   0.001545  -0.001271   0.000786   0.014846
    28  H   -0.007833  -0.042641   0.007155  -0.028829  -0.233346   0.010805
    29  C    0.011452  -0.002502   0.009018   0.033802   0.016304   0.005985
    30  H   -0.042109   0.263981  -0.000031   0.002887  -0.001157  -0.000138
    31  H    0.005167  -0.013410   0.008112  -0.107332   0.008015  -0.002043
    32  H    0.000768   0.003358  -0.001639   0.019308   0.003091   0.000526
    33  H    0.022581   0.008337  -0.005659   0.020429  -0.010990   0.004768
              19         20         21         22         23         24
     1  C   -0.788463   1.205688  -0.089490   0.179919   0.106031  -0.156316
     2  C   -0.334543  -0.446992   0.034101  -0.028361   0.122713   0.013328
     3  C   -0.214650   0.548716  -0.004944   0.086172  -0.140048   0.036818
     4  C   -0.002489   0.185121   0.004587   0.026924   0.012326  -0.022966
     5  C    0.623105  -0.422262   0.034986  -0.007972   0.048297  -0.003146
     6  C    0.699202  -0.731771   0.078494  -0.010366  -0.085243   0.036780
     7  C   -0.545093  -0.873811   0.136415  -0.237051  -0.208673   0.101922
     8  C    0.198843   0.189284  -1.717743   0.444868  -0.127072   0.063245
     9  C    0.017076  -0.025897   0.199872  -0.412612   0.559443  -0.019202
    10  C    0.010848   0.009357   0.177280  -0.002375  -0.262621   0.152647
    11  C   -0.014341  -0.006321   0.003191  -0.001822   0.015721  -0.001747
    12  C    0.001144  -0.000298  -0.000083  -0.000342  -0.000795   0.000592
    13  O   -0.000049  -0.000060  -0.000020   0.000024  -0.000005  -0.000005
    14  O   -0.000203   0.000101   0.000015   0.000015   0.000117  -0.000028
    15  H    0.024092  -0.113454   0.016122  -0.014657  -0.025174   0.012571
    16  H    0.001753   0.005077  -0.001478  -0.003011  -0.000977   0.001881
    17  H    0.018846  -0.003666  -0.003429   0.001576  -0.000510  -0.001012
    18  H   -0.117003   0.035861   0.021671  -0.005532   0.017068   0.001099
    19  H    2.717681  -0.707106  -0.023888   0.033924   0.019653  -0.021567
    20  H   -0.707106   2.754266  -0.020084  -0.029920  -0.022239   0.032135
    21  H   -0.023888  -0.020084   2.886800  -0.104193   0.131611  -0.077599
    22  H    0.033924  -0.029920  -0.104193   2.348718  -0.349826  -0.606575
    23  H    0.019653  -0.022239   0.131611  -0.349826   2.034306  -0.616101
    24  H   -0.021567   0.032135  -0.077599  -0.606575  -0.616101   2.500106
    25  H   -0.019325   0.017851   0.136647  -0.001521  -0.032735   0.004188
    26  H   -0.024281   0.033045  -0.106942  -0.022350   0.000397   0.041702
    27  H    0.031607  -0.021766  -0.080436   0.041534   0.001580  -0.065054
    28  H   -0.001551   0.000008   0.000360  -0.000235  -0.000349   0.000212
    29  C    0.000057  -0.001612  -0.000204   0.001658  -0.002522  -0.000482
    30  H    0.000122  -0.000083  -0.000006  -0.000000  -0.000037   0.000005
    31  H    0.000125  -0.000481  -0.000075   0.000500  -0.001818  -0.000320
    32  H    0.000189   0.000189   0.000010   0.000117  -0.000052  -0.000002
    33  H   -0.000632  -0.000309  -0.000056   0.000158   0.000240  -0.000319
              25         26         27         28         29         30
     1  C   -0.111793   0.032172   0.047875  -0.033550   0.059816   0.011545
     2  C    0.038861   0.075951  -0.007651   0.003668  -0.084067   0.001792
     3  C    0.048494   0.022080  -0.017579  -0.199667  -0.576032  -0.023463
     4  C    0.053889  -0.001260  -0.012067   0.855172  -0.923338   0.036767
     5  C   -0.153591   0.047359   0.006022   0.121166   0.449021  -0.006451
     6  C    0.179900   0.061267  -0.096932  -0.047796  -0.060543  -0.007148
     7  C   -0.169076  -0.213242   0.082575  -0.017721  -0.054362   0.000226
     8  C   -0.149593   0.421639   0.094434   0.002347  -0.000545  -0.000093
     9  C   -0.263556  -0.007497   0.139755   0.000047  -0.003651   0.000061
    10  C    0.560030  -0.385627  -0.021351  -0.001834   0.001080   0.000014
    11  C   -0.011727   0.000287  -0.000179  -2.121243   0.624204   0.012537
    12  C    0.001837   0.000492  -0.000445   0.318408  -0.075991  -0.074055
    13  O   -0.000103   0.000015   0.000003  -0.007833   0.011452  -0.042109
    14  O    0.000066   0.000007  -0.000005  -0.042641  -0.002502   0.263981
    15  H    0.022682  -0.010772   0.001545   0.007155   0.009018  -0.000031
    16  H   -0.002919   0.002832  -0.001271  -0.028829   0.033802   0.002887
    17  H    0.000659   0.006096   0.000786  -0.233346   0.016304  -0.001157
    18  H   -0.033161  -0.039295   0.014846   0.010805   0.005985  -0.000138
    19  H   -0.019325  -0.024281   0.031607  -0.001551   0.000057   0.000122
    20  H    0.017851   0.033045  -0.021766   0.000008  -0.001612  -0.000083
    21  H    0.136647  -0.106942  -0.080436   0.000360  -0.000204  -0.000006
    22  H   -0.001521  -0.022350   0.041534  -0.000235   0.001658  -0.000000
    23  H   -0.032735   0.000397   0.001580  -0.000349  -0.002522  -0.000037
    24  H    0.004188   0.041702  -0.065054   0.000212  -0.000482   0.000005
    25  H    2.059504  -0.356930  -0.621444   0.000859  -0.001854  -0.000003
    26  H   -0.356930   2.357524  -0.607690  -0.000674   0.000273   0.000005
    27  H   -0.621444  -0.607690   2.491384   0.000036   0.000533  -0.000001
    28  H    0.000859  -0.000674   0.000036   2.990427   0.055326   0.009596
    29  C   -0.001854   0.000273   0.000533   0.055326   5.057758   0.012035
    30  H   -0.000003   0.000005  -0.000001   0.009596   0.012035   0.659461
    31  H    0.000563  -0.000243   0.000168   0.109244   0.625626   0.003890
    32  H    0.000605   0.000075  -0.000018   0.002475  -0.536989   0.000124
    33  H   -0.004323   0.000368  -0.000058  -0.035016  -0.017646  -0.000970
              31         32         33
     1  C   -0.074839   0.004117  -0.009881
     2  C   -0.037084   0.051891  -0.045451
     3  C   -0.305672   0.147389   0.094555
     4  C   -0.107572   1.184637  -0.917814
     5  C    0.209676  -0.316774   0.206765
     6  C    0.009802  -0.020219   0.042007
     7  C   -0.009111   0.003104  -0.015212
     8  C   -0.000459  -0.000045   0.003866
     9  C   -0.000988  -0.000181   0.000157
    10  C    0.000745  -0.000118  -0.001121
    11  C   -0.311328  -0.640446   0.896410
    12  C    0.065068   0.044725  -0.154989
    13  O    0.005167   0.000768   0.022581
    14  O   -0.013410   0.003358   0.008337
    15  H    0.008112  -0.001639  -0.005659
    16  H   -0.107332   0.019308   0.020429
    17  H    0.008015   0.003091  -0.010990
    18  H   -0.002043   0.000526   0.004768
    19  H    0.000125   0.000189  -0.000632
    20  H   -0.000481   0.000189  -0.000309
    21  H   -0.000075   0.000010  -0.000056
    22  H    0.000500   0.000117   0.000158
    23  H   -0.001818  -0.000052   0.000240
    24  H   -0.000320  -0.000002  -0.000319
    25  H    0.000563   0.000605  -0.004323
    26  H   -0.000243   0.000075   0.000368
    27  H    0.000168  -0.000018  -0.000058
    28  H    0.109244   0.002475  -0.035016
    29  C    0.625626  -0.536989  -0.017646
    30  H    0.003890   0.000124  -0.000970
    31  H    1.969427  -0.422405  -0.373606
    32  H   -0.422405   2.308029  -0.452364
    33  H   -0.373606  -0.452364   2.065990
 Mulliken charges:
               1
     1  C    0.970015
     2  C    0.756315
     3  C    1.330049
     4  C    0.177338
     5  C    0.291814
     6  C    0.328657
     7  C    1.953522
     8  C   -0.750261
     9  C    1.474617
    10  C    1.483429
    11  C    0.497442
    12  C    0.873452
    13  O   -0.549182
    14  O   -0.501229
    15  H   -1.204471
    16  H   -1.148123
    17  H   -1.092746
    18  H   -1.093145
    19  H   -0.583081
    20  H   -0.588569
    21  H   -0.631491
    22  H   -0.327386
    23  H   -0.192702
    24  H   -0.406794
    25  H   -0.192980
    26  H   -0.326783
    27  H   -0.400736
    28  H   -0.715024
    29  C    1.378392
    30  H    0.140696
    31  H   -0.247341
    32  H   -0.383476
    33  H   -0.320217
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.234456
     2  C    0.756315
     3  C    0.181927
     4  C    0.177338
     5  C   -0.800932
     6  C   -0.764488
     7  C    0.781872
     8  C   -1.381752
     9  C    0.547734
    10  C    0.562930
    11  C   -0.217582
    12  C    0.873452
    13  O   -0.549182
    14  O   -0.360533
    29  C    0.427358
 Electronic spatial extent (au):  <R**2>=           4410.2874
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2232    Y=             -1.2585    Z=              0.4359  Tot=              1.8084
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.4983   YY=            -94.0476   ZZ=            -90.1395
   XY=             -5.5617   XZ=              2.5731   YZ=              0.1967
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.0635   YY=             -2.4858   ZZ=              1.4224
   XY=             -5.5617   XZ=              2.5731   YZ=              0.1967
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.4585  YYY=             -4.9876  ZZZ=            -11.5629  XYY=             -2.9356
  XXY=            -32.7113  XXZ=             -9.1769  XZZ=             23.6724  YZZ=             -2.6783
  YYZ=              0.8219  XYZ=             11.2615
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4601.5012 YYYY=           -672.0322 ZZZZ=           -595.7875 XXXY=           -153.3001
 XXXZ=            -62.5749 YYYX=              8.3620 YYYZ=            -10.4208 ZZZX=            -38.1536
 ZZZY=              6.6197 XXYY=           -942.6227 XXZZ=           -820.4367 YYZZ=           -208.0636
 XXYZ=             63.3266 YYXZ=              1.2519 ZZXY=            -33.1621
 N-N= 9.812879454708D+02 E-N=-3.490037904543D+03  KE= 6.529532950921D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 15:53:56 2021, MaxMem=  6442450944 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8991   -3.9001        3.1445    3.1423
 2      3.8991    3.9001        4.2924    4.2919      -31.7631  -31.7681
 3     -3.1445   -3.1423       39.1857   39.1882       -4.2925   -4.2919
 4     -4.2924   -4.2919        0.0000    0.0000       -3.1432   -3.1423
 5     -7.4226   -7.4202        3.1432    3.1423       -3.9016   -3.9001
 6      4.2925    4.2919        3.9016    3.9001        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       11.7004   11.7004        9.4268    9.4268
 2    -12.8756  -12.8756       -0.0000    0.0000        9.4268    9.4268
 3    -12.8756  -12.8756       11.7004   11.7004       -0.0000    0.0000
 4     11.7004   11.7004       12.8756   12.8756      -95.3043  -95.3043
 5     -9.4268   -9.4268      117.5647  117.5647      -12.8756  -12.8756
 6    -22.2605  -22.2605        9.4268    9.4268      -11.7004  -11.7004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0713    0.0000       16.0030   15.6005      -12.5151  -12.5690
 2    -15.5758  -15.6005      -17.3198  -17.1674      126.9475  127.0723
 3     12.5596   12.5690     -157.0403 -156.7530       17.2451   17.1674
 4     17.0808   17.1674        0.0946    0.0000       12.4297   12.5690
 5     29.6492   29.6806      -12.5105  -12.5690       15.4731   15.6005
 6    -17.1608  -17.1674      -15.4928  -15.6005       -0.0601    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2491    0.0000      -37.7227  -37.3683        7.0372    7.8332
 2     37.2988   37.3683        1.1122    1.2731       -5.3648   -6.3500
 3     -7.6482   -7.8332      -54.2167  -54.5613       -1.2677   -1.2731
 4     -1.2246   -1.2731       -0.2929    0.0000       -7.6155   -7.8332
 5     61.1733   60.9113        7.1562    7.8332      -36.9596  -37.3683
 6      1.5002    1.2731       37.3651   37.3683        0.4363    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -27.2459  -27.4582       -2.0038   -2.1148      -11.9212  -11.6708
 2    -16.1059  -16.2610      -18.9198  -18.5944      -11.9044  -11.6708
 3    -16.1633  -16.2610       -2.3737   -2.1148      -45.8422  -45.7489
 4     16.2671   16.4795      -10.5980  -11.1972      -39.9287  -39.8515
 5    -34.2016  -34.0781      -56.1879  -56.4361       11.2479   11.1972
 6     96.7152   96.2875       34.0564   34.0781      -16.0838  -16.4795
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.4943                 1.2059                 2.2266
  Dep-P Fr= 1--      0.7309                 0.7461                 0.7263
  Dep-U Fr= 1--      0.8445                 0.8546                 0.8414
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0009
 Beta2  Fr= 1--      0.0696                 0.1718                 0.3123
 AlphaG Fr= 1--     -0.0006                 0.0018                 0.0014
 Gamma2 Fr= 1--     -0.2281                -0.9216                 0.9329
 Delta2 Fr= 1--     -0.1908                -0.2809                -0.2792
 Raman1 Fr= 1--       1.977                  4.823                  8.906
 ROA1   Fr= 1--     -28.008                -97.460                 80.622
 CID1   Fr= 1--     -14.167                -20.206                  9.052
 Raman2 Fr= 1--       0.835                  2.061                  3.747
 ROA2   Fr= 1--      -3.949                -19.871                 24.623
 CID2   Fr= 1--      -4.730                 -9.641                  6.571
 Raman3 Fr= 1--       1.670                  4.122                  7.494
 ROA3   Fr= 1--     -28.008                -97.460                 80.622
 CID3   Fr= 1--     -16.775                -23.643                 10.758
 RC180  Fr= 1--       0.689                  0.709                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      1.1523                 2.0766                 3.2545
  Dep-P Fr= 1--      0.6997                 0.6814                 0.6795
  Dep-U Fr= 1--      0.8233                 0.8105                 0.8092
 Alpha2 Fr= 1--      0.0010                 0.0025                 0.0040
 Beta2  Fr= 1--      0.1581                 0.2805                 0.4389
 AlphaG Fr= 1--      0.0018                -0.0025                 0.0024
 Gamma2 Fr= 1--     -0.1554                -0.9880                 0.8552
 Delta2 Fr= 1--      0.2153                -0.1251                 0.4695
 Raman1 Fr= 1--       4.609                  8.306                 13.018
 ROA1   Fr= 1--      -8.032                -98.852                 97.119
 CID1   Fr= 1--      -1.743                -11.901                  7.460
 Raman2 Fr= 1--       1.897                  3.366                  5.267
 ROA2   Fr= 1--      -5.452                -22.712                 16.768
 CID2   Fr= 1--      -2.874                 -6.747                  3.184
 Raman3 Fr= 1--       3.795                  6.733                 10.534
 ROA3   Fr= 1--      -8.032                -98.852                 97.119
 CID3   Fr= 1--      -2.117                -14.682                  9.219
 RC180  Fr= 1--       0.647                  0.621                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.4888                 0.2851                 0.3182
  Dep-P Fr= 1--      0.7145                 0.3134                 0.2176
  Dep-U Fr= 1--      0.8335                 0.4772                 0.3574
 Alpha2 Fr= 1--      0.0003                 0.0028                 0.0041
 Beta2  Fr= 1--      0.0679                 0.0227                 0.0190
 AlphaG Fr= 1--     -0.0020                -0.0054                 0.0004
 Gamma2 Fr= 1--      0.8672                 0.0007                 0.3326
 Delta2 Fr= 1--      0.3909                 0.1092                 0.1867
 Raman1 Fr= 1--       1.955                  1.140                  1.273
 ROA1   Fr= 1--      95.757                  3.557                 37.902
 CID1   Fr= 1--      48.974                  3.119                 29.776
 Raman2 Fr= 1--       0.815                  0.272                  0.227
 ROA2   Fr= 1--      17.685                 -0.858                  6.488
 CID2   Fr= 1--      21.703                 -3.153                 28.526
 Raman3 Fr= 1--       1.630                  0.544                  0.455
 ROA3   Fr= 1--      95.757                  3.557                 37.902
 CID3   Fr= 1--      58.756                  6.537                 83.319
 RC180  Fr= 1--       0.667                 -0.046                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      2.0838                 0.3853                 0.5133
  Dep-P Fr= 1--      0.2388                 0.4908                 0.2202
  Dep-U Fr= 1--      0.3856                 0.6584                 0.3610
 Alpha2 Fr= 1--      0.0255                 0.0020                 0.0066
 Beta2  Fr= 1--      0.1339                 0.0423                 0.0309
 AlphaG Fr= 1--      0.0201                -0.0134                -0.0000
 Gamma2 Fr= 1--     -1.0998                 0.0434                 0.0122
 Delta2 Fr= 1--     -0.3631                 0.1950                -0.0050
 Raman1 Fr= 1--       8.335                  1.541                  2.053
 ROA1   Fr= 1--    -117.198                 10.408                  1.013
 CID1   Fr= 1--     -14.060                  6.752                  0.493
 Raman2 Fr= 1--       1.607                  0.507                  0.371
 ROA2   Fr= 1--     -23.490                 -0.519                  0.333
 CID2   Fr= 1--     -14.617                 -1.022                  0.900
 Raman3 Fr= 1--       3.214                  1.015                  0.741
 ROA3   Fr= 1--    -117.198                 10.408                  1.013
 CID3   Fr= 1--     -36.464                 10.255                  1.366
 RC180  Fr= 1--      -0.229                  0.317                 -0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.3414                 1.9858                 2.4425
  Dep-P Fr= 1--      0.3283                 0.3689                 0.6776
  Dep-U Fr= 1--      0.4944                 0.5390                 0.8078
 Alpha2 Fr= 1--      0.0032                 0.0164                 0.0031
 Beta2  Fr= 1--      0.0281                 0.1784                 0.3288
 AlphaG Fr= 1--     -0.0007                 0.0119                -0.0018
 Gamma2 Fr= 1--     -0.6375                 0.2478                 0.5951
 Delta2 Fr= 1--     -0.2693                -0.7000                 0.3054
 Raman1 Fr= 1--       1.366                  7.943                  9.770
 ROA1   Fr= 1--     -69.819                  1.388                 66.905
 CID1   Fr= 1--     -51.125                  0.175                  6.848
 Raman2 Fr= 1--       0.338                  2.141                  3.946
 ROA2   Fr= 1--     -13.146                 11.547                 11.840
 CID2   Fr= 1--     -38.944                  5.394                  3.000
 Raman3 Fr= 1--       0.675                  4.281                  7.892
 ROA3   Fr= 1--     -69.819                  1.388                 66.905
 CID3   Fr= 1--    -103.417                  0.324                  8.478
 RC180  Fr= 1--      -0.011                  0.078                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.0985                 0.7157                 2.7586
  Dep-P Fr= 1--      0.3852                 0.0977                 0.1361
  Dep-U Fr= 1--      0.5562                 0.1780                 0.2396
 Alpha2 Fr= 1--      0.0086                 0.0126                 0.0442
 Beta2  Fr= 1--      0.1018                 0.0212                 0.1101
 AlphaG Fr= 1--      0.0048                 0.0237                -0.0548
 Gamma2 Fr= 1--      0.0598                 0.2768                -0.9564
 Delta2 Fr= 1--     -0.0022                 0.1594                -0.0155
 Raman1 Fr= 1--       4.394                  2.863                 11.035
 ROA1   Fr= 1--       5.676                 31.676                -92.307
 CID1   Fr= 1--       1.292                 11.065                 -8.365
 Raman2 Fr= 1--       1.222                  0.255                  1.322
 ROA2   Fr= 1--       1.454                  5.369                -22.829
 CID2   Fr= 1--       1.190                 21.075                -17.271
 Raman3 Fr= 1--       2.444                  0.509                  2.644
 ROA3   Fr= 1--       5.676                 31.676                -92.307
 CID3   Fr= 1--       2.322                 62.171                -34.917
 RC180  Fr= 1--       0.112                 -0.644                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.6430                 0.3527                 0.8556
  Dep-P Fr= 1--      0.1929                 0.4335                 0.0741
  Dep-U Fr= 1--      0.3234                 0.6048                 0.1379
 Alpha2 Fr= 1--      0.0089                 0.0023                 0.0160
 Beta2  Fr= 1--      0.0347                 0.0356                 0.0197
 AlphaG Fr= 1--      0.0366                -0.0040                -0.0167
 Gamma2 Fr= 1--      0.4466                 0.1524                -0.1294
 Delta2 Fr= 1--      0.0986                 0.0313                -0.0452
 Raman1 Fr= 1--       2.572                  1.411                  3.422
 ROA1   Fr= 1--      46.030                 15.634                -13.869
 CID1   Fr= 1--      17.896                 11.081                 -4.052
 Raman2 Fr= 1--       0.416                  0.427                  0.236
 ROA2   Fr= 1--       9.930                  3.408                 -2.744
 CID2   Fr= 1--      23.875                  7.987                -11.627
 Raman3 Fr= 1--       0.832                  0.853                  0.472
 ROA3   Fr= 1--      46.030                 15.634                -13.869
 CID3   Fr= 1--      55.335                 18.321                -29.387
 RC180  Fr= 1--      -0.353                  0.210                 -0.724
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.8605                 0.5547                 3.4717
  Dep-P Fr= 1--      0.4067                 0.4879                 0.6432
  Dep-U Fr= 1--      0.5783                 0.6558                 0.7829
 Alpha2 Fr= 1--      0.0135                 0.0029                 0.0067
 Beta2  Fr= 1--      0.1793                 0.0606                 0.4530
 AlphaG Fr= 1--     -0.0047                 0.0116                -0.0288
 Gamma2 Fr= 1--     -1.3527                 0.1224                -0.2795
 Delta2 Fr= 1--      0.0307                -0.0820                 0.1072
 Raman1 Fr= 1--       7.442                  2.219                 13.887
 ROA1   Fr= 1--    -128.881                  9.130                -23.402
 CID1   Fr= 1--     -17.318                  4.115                 -1.685
 Raman2 Fr= 1--       2.152                  0.728                  5.436
 ROA2   Fr= 1--     -32.711                  3.594                 -7.566
 CID2   Fr= 1--     -15.202                  4.940                 -1.392
 Raman3 Fr= 1--       4.303                  1.455                 10.872
 ROA3   Fr= 1--    -128.881                  9.130                -23.402
 CID3   Fr= 1--     -29.949                  6.274                 -2.153
 RC180  Fr= 1--       0.157                  0.312                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.7297                 0.3934                25.2324
  Dep-P Fr= 1--      0.5216                 0.5137                 0.0172
  Dep-U Fr= 1--      0.6856                 0.6787                 0.0338
 Alpha2 Fr= 1--      0.0210                 0.0018                 0.5386
 Beta2  Fr= 1--      0.5404                 0.0445                 0.1419
 AlphaG Fr= 1--     -0.0156                -0.0067                 0.1398
 Gamma2 Fr= 1--      0.1328                 1.0041                 0.8113
 Delta2 Fr= 1--     -0.6102                 0.2300                -0.0090
 Raman1 Fr= 1--      18.919                  1.574                100.930
 ROA1   Fr= 1--      -6.781                103.754                 77.597
 CID1   Fr= 1--      -0.358                 65.938                  0.769
 Raman2 Fr= 1--       6.485                  0.534                  1.703
 ROA2   Fr= 1--       8.068                 22.259                 19.544
 CID2   Fr= 1--       1.244                 41.685                 11.474
 Raman3 Fr= 1--      12.970                  1.068                  3.407
 ROA3   Fr= 1--      -6.781                103.754                 77.597
 CID3   Fr= 1--      -0.523                 97.152                 22.779
 RC180  Fr= 1--       0.371                  0.357                 -0.932
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     13.4486                 4.6112                15.8270
  Dep-P Fr= 1--      0.0543                 0.1295                 0.0398
  Dep-U Fr= 1--      0.1030                 0.2293                 0.0766
 Alpha2 Fr= 1--      0.2629                 0.0751                 0.3203
 Beta2  Fr= 1--      0.2309                 0.1762                 0.2021
 AlphaG Fr= 1--      0.0104                 0.0063                 0.0912
 Gamma2 Fr= 1--      0.0405                 1.5635                 0.6986
 Delta2 Fr= 1--     -0.1448                 0.0810                 0.0920
 Raman1 Fr= 1--      53.794                 18.445                 63.308
 ROA1   Fr= 1--      -0.749                152.684                 70.006
 CID1   Fr= 1--      -0.014                  8.278                  1.106
 Raman2 Fr= 1--       2.771                  2.114                  2.425
 ROA2   Fr= 1--       2.129                 36.876                 16.030
 CID2   Fr= 1--       0.769                 17.440                  6.611
 Raman3 Fr= 1--       5.542                  4.229                  4.850
 ROA3   Fr= 1--      -0.749                152.684                 70.006
 CID3   Fr= 1--      -0.135                 36.105                 14.435
 RC180  Fr= 1--      -0.794                 -0.541                 -0.847
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--      9.6486                 2.3483                 2.4405
  Dep-P Fr= 1--      0.1760                 0.4794                 0.6987
  Dep-U Fr= 1--      0.2993                 0.6481                 0.8226
 Alpha2 Fr= 1--      0.1395                 0.0127                 0.0022
 Beta2  Fr= 1--      0.4814                 0.2537                 0.3346
 AlphaG Fr= 1--     -0.1340                 0.0137                -0.0083
 Gamma2 Fr= 1--      1.1047                -0.9671                 0.1234
 Delta2 Fr= 1--     -0.2131                -0.9757                 0.0794
 Raman1 Fr= 1--      38.595                  9.393                  9.762
 ROA1   Fr= 1--      99.227               -124.064                 14.386
 CID1   Fr= 1--       2.571                -13.208                  1.474
 Raman2 Fr= 1--       5.776                  3.044                  4.015
 ROA2   Fr= 1--      28.217                -15.404                  2.326
 CID2   Fr= 1--       4.885                 -5.061                  0.579
 Raman3 Fr= 1--      11.552                  6.088                  8.030
 ROA3   Fr= 1--      99.227               -124.064                 14.386
 CID3   Fr= 1--       8.589                -20.379                  1.791
 RC180  Fr= 1--      -0.401                  0.296                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.4886                 0.3705                 4.9681
  Dep-P Fr= 1--      0.6932                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8188                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0667                 0.0529                 0.7097
 AlphaG Fr= 1--      0.0016                 0.0001                 0.0000
 Gamma2 Fr= 1--     -0.3880                 0.0196                -0.4550
 Delta2 Fr= 1--     -0.2907                 0.0113                 0.6350
 Raman1 Fr= 1--       1.954                  1.482                 19.873
 ROA1   Fr= 1--     -46.547                  2.246                -23.361
 CID1   Fr= 1--     -23.818                  1.515                 -1.176
 Raman2 Fr= 1--       0.800                  0.635                  8.517
 ROA2   Fr= 1--      -6.986                  0.380                -16.000
 CID2   Fr= 1--      -8.731                  0.599                 -1.879
 Raman3 Fr= 1--       1.600                  1.270                 17.034
 ROA3   Fr= 1--     -46.547                  2.246                -23.361
 CID3   Fr= 1--     -29.088                  1.768                 -1.371
 RC180  Fr= 1--       0.638                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      4.6078                 2.8526                 1.0414
  Dep-P Fr= 1--      0.7484                 0.7494                 0.6304
  Dep-U Fr= 1--      0.8561                 0.8567                 0.7733
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0023
 Beta2  Fr= 1--      0.6575                 0.4073                 0.1342
 AlphaG Fr= 1--     -0.0067                 0.0005                 0.0045
 Gamma2 Fr= 1--      1.1825                -0.1341                -0.4108
 Delta2 Fr= 1--     -0.5265                -0.1006                -0.0152
 Raman1 Fr= 1--      18.431                 11.411                  4.165
 ROA1   Fr= 1--      96.671                -16.090                -39.926
 CID1   Fr= 1--       5.245                 -1.410                 -9.585
 Raman2 Fr= 1--       7.890                  4.888                  1.611
 ROA2   Fr= 1--      32.592                 -2.413                 -9.739
 CID2   Fr= 1--       4.131                 -0.494                 -6.046
 Raman3 Fr= 1--      15.779                  9.776                  3.221
 ROA3   Fr= 1--      96.671                -16.090                -39.926
 CID3   Fr= 1--       6.127                 -1.646                -12.395
 RC180  Fr= 1--       0.712                  0.713                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     14.5195                 0.0778                 3.6476
  Dep-P Fr= 1--      0.2651                 0.4362                 0.6866
  Dep-U Fr= 1--      0.4191                 0.6075                 0.8142
 Alpha2 Fr= 1--      0.1649                 0.0005                 0.0041
 Beta2  Fr= 1--      1.0142                 0.0079                 0.4950
 AlphaG Fr= 1--      0.0363                -0.0007                 0.0282
 Gamma2 Fr= 1--      0.5799                -0.1626                -4.9666
 Delta2 Fr= 1--     -1.1193                 0.1567                -1.9683
 Raman1 Fr= 1--      58.078                  0.311                 14.590
 ROA1   Fr= 1--      19.853                -10.595               -539.781
 CID1   Fr= 1--       0.342                -34.034                -36.996
 Raman2 Fr= 1--      12.170                  0.095                  5.940
 ROA2   Fr= 1--      22.872                 -5.156               -103.452
 CID2   Fr= 1--       1.879                -54.528                -17.417
 Raman3 Fr= 1--      24.340                  0.189                 11.879
 ROA3   Fr= 1--      19.853                -10.595               -539.781
 CID3   Fr= 1--       0.816                -56.025                -45.439
 RC180  Fr= 1--      -0.162                  0.215                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      1.4032                 9.2871                 4.9334
  Dep-P Fr= 1--      0.5317                 0.2404                 0.1888
  Dep-U Fr= 1--      0.6943                 0.3876                 0.3176
 Alpha2 Fr= 1--      0.0059                 0.1131                 0.0690
 Beta2  Fr= 1--      0.1624                 0.5999                 0.2612
 AlphaG Fr= 1--     -0.0089                 0.0819                 0.0133
 Gamma2 Fr= 1--      1.9314                 1.5837                -0.3320
 Delta2 Fr= 1--      1.1064                 3.6388                -0.0076
 Raman1 Fr= 1--       5.613                 37.148                 19.734
 ROA1   Fr= 1--     220.822                268.480                -32.110
 CID1   Fr= 1--      39.342                  7.227                 -1.627
 Raman2 Fr= 1--       1.948                  7.199                  3.134
 ROA2   Fr= 1--      37.503                  8.899                 -7.907
 CID2   Fr= 1--      19.248                  1.236                 -2.523
 Raman3 Fr= 1--       3.897                 14.398                  6.268
 ROA3   Fr= 1--     220.822                268.480                -32.110
 CID3   Fr= 1--      56.667                 18.647                 -5.123
 RC180  Fr= 1--       0.389                 -0.225                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      2.1963                 1.6498                 9.9720
  Dep-P Fr= 1--      0.2306                 0.7498                 0.2544
  Dep-U Fr= 1--      0.3748                 0.8570                 0.4056
 Alpha2 Fr= 1--      0.0275                 0.0000                 0.1167
 Beta2  Fr= 1--      0.1372                 0.2356                 0.6741
 AlphaG Fr= 1--      0.0116                -0.0008                -0.0341
 Gamma2 Fr= 1--     -0.0177                -2.0428                -0.2545
 Delta2 Fr= 1--     -0.2180                -0.7593                 0.4734
 Raman1 Fr= 1--       8.785                  6.599                 39.888
 ROA1   Fr= 1--      -8.676               -220.404                 -9.283
 CID1   Fr= 1--      -0.988                -33.399                 -0.233
 Raman2 Fr= 1--       1.646                  2.828                  8.089
 ROA2   Fr= 1--       1.319                -42.952                 -9.895
 CID2   Fr= 1--       0.801                -15.190                 -1.223
 Raman3 Fr= 1--       3.292                  5.655                 16.177
 ROA3   Fr= 1--      -8.676               -220.404                 -9.283
 CID3   Fr= 1--      -2.635                -38.973                 -0.574
 RC180  Fr= 1--      -0.250                  0.714                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     63.5924                43.1037                42.4600
  Dep-P Fr= 1--      0.1138                 0.1766                 0.1885
  Dep-U Fr= 1--      0.2043                 0.3002                 0.3172
 Alpha2 Fr= 1--      1.0763                 0.6224                 0.5944
 Beta2  Fr= 1--      2.1652                 2.1565                 2.2445
 AlphaG Fr= 1--      0.0011                 0.0000                 0.1356
 Gamma2 Fr= 1--      3.4475                 2.0356                 0.2719
 Delta2 Fr= 1--     -0.3869                -0.2354                -0.3089
 Raman1 Fr= 1--     254.370                172.415                169.840
 ROA1   Fr= 1--     318.576                187.880                 16.214
 CID1   Fr= 1--       1.252                  1.090                  0.095
 Raman2 Fr= 1--      25.983                 25.878                 26.934
 ROA2   Fr= 1--      85.834                 50.736                  8.997
 CID2   Fr= 1--       3.303                  1.961                  0.334
 Raman3 Fr= 1--      51.966                 51.755                 53.869
 ROA3   Fr= 1--     318.576                187.880                 16.214
 CID3   Fr= 1--       6.130                  3.630                  0.301
 RC180  Fr= 1--      -0.591                 -0.400                 -0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      6.1572                 6.0592                14.2044
  Dep-P Fr= 1--      0.7385                 0.5425                 0.1970
  Dep-U Fr= 1--      0.8496                 0.7034                 0.3292
 Alpha2 Fr= 1--      0.0012                 0.0242                 0.1944
 Beta2  Fr= 1--      0.8719                 0.7103                 0.7793
 AlphaG Fr= 1--     -0.0161                 0.0127                 0.0662
 Gamma2 Fr= 1--     -0.7099                 3.1865                 2.5899
 Delta2 Fr= 1--     -0.0193                 1.4217                 2.5064
 Raman1 Fr= 1--      24.629                 24.237                 56.818
 ROA1   Fr= 1--     -68.764                351.400                328.833
 CID1   Fr= 1--      -2.792                 14.499                  5.788
 Raman2 Fr= 1--      10.462                  8.524                  9.351
 ROA2   Fr= 1--     -16.882                 65.102                 42.106
 CID2   Fr= 1--      -1.614                  7.638                  4.503
 Raman3 Fr= 1--      20.925                 17.048                 18.703
 ROA3   Fr= 1--     -68.764                351.400                328.833
 CID3   Fr= 1--      -3.286                 20.612                 17.582
 RC180  Fr= 1--       0.699                  0.407                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     38.3039                 2.3016                 1.5599
  Dep-P Fr= 1--      0.3381                 0.5799                 0.5391
  Dep-U Fr= 1--      0.5054                 0.7341                 0.7006
 Alpha2 Fr= 1--      0.3493                 0.0073                 0.0063
 Beta2  Fr= 1--      3.2262                 0.2816                 0.1821
 AlphaG Fr= 1--      0.1447                 0.0004                -0.0113
 Gamma2 Fr= 1--     -5.7311                -1.6926                 2.8013
 Delta2 Fr= 1--     -3.1862                -2.0360                 2.0370
 Raman1 Fr= 1--     153.216                  9.206                  6.239
 ROA1   Fr= 1--    -652.149               -227.642                334.110
 CID1   Fr= 1--      -4.256                -24.727                 53.548
 Raman2 Fr= 1--      38.714                  3.379                  2.186
 ROA2   Fr= 1--    -112.057                -24.335                 50.936
 CID2   Fr= 1--      -2.894                 -7.202                 23.306
 Raman3 Fr= 1--      77.428                  6.758                  4.371
 ROA3   Fr= 1--    -652.149               -227.642                334.110
 CID3   Fr= 1--      -8.423                -33.683                 76.436
 RC180  Fr= 1--       0.011                  0.468                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.9581                13.6927                 6.5275
  Dep-P Fr= 1--      0.7500                 0.3674                 0.7361
  Dep-U Fr= 1--      0.8571                 0.5374                 0.8480
 Alpha2 Fr= 1--      0.0000                 0.1135                 0.0016
 Beta2  Fr= 1--      0.2797                 1.2264                 0.9225
 AlphaG Fr= 1--      0.0001                 0.0390                 0.0243
 Gamma2 Fr= 1--     -0.1143                -0.2657                 2.4761
 Delta2 Fr= 1--     -0.1801                -0.4193                -1.5307
 Raman1 Fr= 1--       7.832                 54.771                 26.110
 ROA1   Fr= 1--     -16.731                -38.924                188.719
 CID1   Fr= 1--      -2.136                 -0.711                  7.228
 Raman2 Fr= 1--       3.357                 14.717                 11.070
 ROA2   Fr= 1--      -1.301                 -3.022                 71.671
 CID2   Fr= 1--      -0.388                 -0.205                  6.474
 Raman3 Fr= 1--       6.713                 29.433                 22.140
 ROA3   Fr= 1--     -16.731                -38.924                188.719
 CID3   Fr= 1--      -2.492                 -1.322                  8.524
 RC180  Fr= 1--       0.714                  0.075                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.0807                 1.5511                 3.0545
  Dep-P Fr= 1--      0.7250                 0.4887                 0.4503
  Dep-U Fr= 1--      0.8406                 0.6565                 0.6210
 Alpha2 Fr= 1--      0.0000                 0.0081                 0.0187
 Beta2  Fr= 1--      0.0113                 0.1697                 0.3161
 AlphaG Fr= 1--      0.0002                 0.0148                 0.0054
 Gamma2 Fr= 1--     -0.0485                -0.0991                 0.0660
 Delta2 Fr= 1--     -0.0242                 0.0983                -0.0062
 Raman1 Fr= 1--       0.323                  6.205                 12.218
 ROA1   Fr= 1--      -5.426                 -6.373                  6.137
 CID1   Fr= 1--     -16.809                 -1.027                  0.502
 Raman2 Fr= 1--       0.136                  2.037                  3.793
 ROA2   Fr= 1--      -0.970                 -3.166                  1.634
 CID2   Fr= 1--      -7.145                 -1.554                  0.431
 Raman3 Fr= 1--       0.271                  4.073                  7.587
 ROA3   Fr= 1--      -5.426                 -6.373                  6.137
 CID3   Fr= 1--     -19.996                 -1.565                  0.809
 RC180  Fr= 1--       0.681                  0.313                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2930                 8.7418                14.7715
  Dep-P Fr= 1--      0.3681                 0.7500                 0.7104
  Dep-U Fr= 1--      0.5381                 0.8571                 0.8307
 Alpha2 Fr= 1--      0.0024                 0.0000                 0.0101
 Beta2  Fr= 1--      0.0263                 1.2488                 2.0451
 AlphaG Fr= 1--     -0.0453                -0.0008                 0.0085
 Gamma2 Fr= 1--     -0.1620                -0.1218                 1.0705
 Delta2 Fr= 1--      0.6427                 0.4042                -0.2023
 Raman1 Fr= 1--       1.172                 34.967                 59.086
 ROA1   Fr= 1--       5.015                  1.241                 96.291
 CID1   Fr= 1--       4.279                  0.036                  1.630
 Raman2 Fr= 1--       0.315                 14.986                 24.541
 ROA2   Fr= 1--      -9.029                 -6.156                 27.310
 CID2   Fr= 1--     -28.637                 -0.411                  1.113
 Raman3 Fr= 1--       0.631                 29.971                 49.081
 ROA3   Fr= 1--       5.015                  1.241                 96.291
 CID3   Fr= 1--       7.952                  0.041                  1.962
 RC180  Fr= 1--       0.076                  0.714                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      4.8576                 0.6511                 5.1540
  Dep-P Fr= 1--      0.5899                 0.7393                 0.5978
  Dep-U Fr= 1--      0.7420                 0.8501                 0.7483
 Alpha2 Fr= 1--      0.0145                 0.0001                 0.0146
 Beta2  Fr= 1--      0.6007                 0.0922                 0.6427
 AlphaG Fr= 1--     -0.0073                 0.0062                 0.0945
 Gamma2 Fr= 1--     -0.8621                -0.3418                 1.5922
 Delta2 Fr= 1--     -1.4156                -0.2241                 1.7913
 Raman1 Fr= 1--      19.430                  2.604                 20.616
 ROA1   Fr= 1--    -128.063                -39.983                210.171
 CID1   Fr= 1--      -6.591                -15.353                 10.195
 Raman2 Fr= 1--       7.209                  1.107                  7.713
 ROA2   Fr= 1--      -9.366                 -6.410                 23.882
 CID2   Fr= 1--      -1.299                 -5.790                  3.096
 Raman3 Fr= 1--      14.418                  2.214                 15.426
 ROA3   Fr= 1--    -128.063                -39.983                210.171
 CID3   Fr= 1--      -8.882                -18.059                 13.625
 RC180  Fr= 1--       0.484                  0.700                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      0.8200                 3.3167                 0.9815
  Dep-P Fr= 1--      0.6420                 0.6941                 0.7481
  Dep-U Fr= 1--      0.7820                 0.8194                 0.8559
 Alpha2 Fr= 1--      0.0016                 0.0032                 0.0000
 Beta2  Fr= 1--      0.1069                 0.4530                 0.1400
 AlphaG Fr= 1--     -0.0022                -0.0010                 0.0010
 Gamma2 Fr= 1--      0.0802                 0.0257                -0.6342
 Delta2 Fr= 1--      0.0056                -0.0637                -0.1684
 Raman1 Fr= 1--       3.280                 13.267                  3.926
 ROA1   Fr= 1--       7.881                  0.433                -66.267
 CID1   Fr= 1--       2.403                  0.033                -16.880
 Raman2 Fr= 1--       1.282                  5.436                  1.680
 ROA2   Fr= 1--       1.880                  1.128                -13.873
 CID2   Fr= 1--       1.466                  0.207                 -8.257
 Raman3 Fr= 1--       2.565                 10.871                  3.360
 ROA3   Fr= 1--       7.881                  0.433                -66.267
 CID3   Fr= 1--       3.073                  0.040                -19.721
 RC180  Fr= 1--       0.564                  0.639                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      1.6561               177.9191                21.6147
  Dep-P Fr= 1--      0.7019                 0.4647                 0.2015
  Dep-U Fr= 1--      0.8248                 0.6345                 0.3354
 Alpha2 Fr= 1--      0.0014                 1.0268                 0.2924
 Beta2  Fr= 1--      0.2277                18.8161                 1.2083
 AlphaG Fr= 1--      0.0236                 0.0095                -0.5504
 Gamma2 Fr= 1--      0.1580                 3.8885                -1.9825
 Delta2 Fr= 1--     -0.0378                 0.5060                 1.3553
 Raman1 Fr= 1--       6.625                711.676                 86.459
 ROA1   Fr= 1--      13.958                389.487               -146.952
 CID1   Fr= 1--       2.107                  0.547                 -1.700
 Raman2 Fr= 1--       2.732                225.793                 14.500
 ROA2   Fr= 1--       4.094                 89.276                -58.423
 CID2   Fr= 1--       1.499                  0.395                 -4.029
 Raman3 Fr= 1--       5.464                451.587                 29.000
 ROA3   Fr= 1--      13.958                389.487               -146.952
 CID3   Fr= 1--       2.554                  0.862                 -5.067
 RC180  Fr= 1--       0.650                  0.269                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    153.6083                16.0462                62.9385
  Dep-P Fr= 1--      0.4571                 0.7005                 0.5989
  Dep-U Fr= 1--      0.6274                 0.8239                 0.7492
 Alpha2 Fr= 1--      0.9150                 0.0138                 0.1762
 Beta2  Fr= 1--     16.0622                 2.2034                 7.8585
 AlphaG Fr= 1--      0.0102                -0.0122                 0.1051
 Gamma2 Fr= 1--     -0.6312                 1.1018                -3.7379
 Delta2 Fr= 1--      1.3739                -1.1905                 1.1201
 Raman1 Fr= 1--     614.433                 64.185                251.754
 ROA1   Fr= 1--     -16.631                 67.682               -322.994
 CID1   Fr= 1--      -0.027                  1.054                 -1.283
 Raman2 Fr= 1--     192.746                 26.441                 94.302
 ROA2   Fr= 1--     -26.141                 35.968                -98.670
 CID2   Fr= 1--      -0.136                  1.360                 -1.046
 Raman3 Fr= 1--     385.493                 52.882                188.603
 ROA3   Fr= 1--     -16.631                 67.682               -322.994
 CID3   Fr= 1--      -0.043                  1.280                 -1.713
 RC180  Fr= 1--       0.255                  0.648                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    582.6518               241.3353                60.2796
  Dep-P Fr= 1--      0.0129                 0.0714                 0.7499
  Dep-U Fr= 1--      0.0254                 0.1332                 0.8571
 Alpha2 Fr= 1--     12.5635                 4.5294                 0.0001
 Beta2  Fr= 1--      2.4705                 5.3592                 8.6107
 AlphaG Fr= 1--     -0.2767                -0.4792                 0.0129
 Gamma2 Fr= 1--     -0.3191                -0.6308                -1.0340
 Delta2 Fr= 1--      0.4001                 4.0392                -1.5417
 Raman1 Fr= 1--    2330.607                965.341                241.118
 ROA1   Fr= 1--     -17.826                 68.697               -148.598
 CID1   Fr= 1--      -0.008                  0.071                 -0.616
 Raman2 Fr= 1--      29.646                 64.311                103.329
 ROA2   Fr= 1--     -10.858                -47.453                -12.482
 CID2   Fr= 1--      -0.366                 -0.738                 -0.121
 Raman3 Fr= 1--      59.292                128.621                206.658
 ROA3   Fr= 1--     -17.826                 68.697               -148.598
 CID3   Fr= 1--      -0.301                  0.534                 -0.719
 RC180  Fr= 1--      -0.949                 -0.734                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     68.4637                42.7676               151.3966
  Dep-P Fr= 1--      0.2087                 0.7489                 0.6953
  Dep-U Fr= 1--      0.3453                 0.8564                 0.8203
 Alpha2 Fr= 1--      0.9084                 0.0008                 0.1446
 Beta2  Fr= 1--      3.9405                 6.1045                20.6984
 AlphaG Fr= 1--     -0.4397                -0.0720                 0.1386
 Gamma2 Fr= 1--     -3.6251                 0.5547                 4.4404
 Delta2 Fr= 1--     -2.0385                -0.9227                 5.1795
 Raman1 Fr= 1--     273.855                171.071                605.586
 ROA1   Fr= 1--    -413.242                 23.722                592.024
 CID1   Fr= 1--      -1.509                  0.139                  0.978
 Raman2 Fr= 1--      47.286                 73.255                248.381
 ROA2   Fr= 1--     -70.695                 20.694                 65.135
 CID2   Fr= 1--      -1.495                  0.283                  0.262
 Raman3 Fr= 1--      94.572                146.509                496.762
 ROA3   Fr= 1--    -413.242                 23.722                592.024
 CID3   Fr= 1--      -4.370                  0.162                  1.192
 RC180  Fr= 1--      -0.309                  0.713                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     13.2182                67.3245               125.0141
  Dep-P Fr= 1--      0.7399                 0.4675                 0.6561
  Dep-U Fr= 1--      0.8505                 0.6372                 0.7924
 Alpha2 Fr= 1--      0.0023                 0.3839                 0.2099
 Beta2  Fr= 1--      1.8737                 7.1496                16.5096
 AlphaG Fr= 1--      0.0577                 0.0155                 0.1002
 Gamma2 Fr= 1--     -5.7240                 2.9242                -2.9029
 Delta2 Fr= 1--     -1.4869                -1.5450                -4.4377
 Raman1 Fr= 1--      52.873                269.298                500.056
 ROA1   Fr= 1--    -597.083                231.282               -420.686
 CID1   Fr= 1--     -11.293                  0.859                 -0.841
 Raman2 Fr= 1--      22.485                 85.796                198.115
 ROA2   Fr= 1--    -125.481                 82.541                -34.169
 CID2   Fr= 1--      -5.581                  0.962                 -0.172
 Raman3 Fr= 1--      44.970                171.591                396.230
 ROA3   Fr= 1--    -597.083                231.282               -420.686
 CID3   Fr= 1--     -13.277                  1.348                 -1.062
 RC180  Fr= 1--       0.701                  0.274                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     28.9100                54.1687                57.0174
  Dep-P Fr= 1--      0.6632                 0.7324                 0.6444
  Dep-U Fr= 1--      0.7975                 0.8455                 0.7837
 Alpha2 Fr= 1--      0.0447                 0.0163                 0.1085
 Beta2  Fr= 1--      3.8427                 7.6336                 7.4478
 AlphaG Fr= 1--     -0.0159                -0.0011                 0.2353
 Gamma2 Fr= 1--      0.7332                -7.0392                 5.2288
 Delta2 Fr= 1--      2.2234                 1.2371                 1.9208
 Raman1 Fr= 1--     115.640                216.675                228.070
 ROA1   Fr= 1--     141.535               -636.176                563.433
 CID1   Fr= 1--       1.224                 -2.936                  2.470
 Raman2 Fr= 1--      46.113                 91.604                 89.374
 ROA2   Fr= 1--      -0.191               -178.837                110.125
 CID2   Fr= 1--      -0.004                 -1.952                  1.232
 Raman3 Fr= 1--      92.225                183.207                178.748
 ROA3   Fr= 1--     141.535               -636.176                563.433
 CID3   Fr= 1--       1.535                 -3.472                  3.152
 RC180  Fr= 1--       0.595                  0.691                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--     98.3890               137.8136               185.0734
  Dep-P Fr= 1--      0.1521                 0.1364                 0.2581
  Dep-U Fr= 1--      0.2641                 0.2401                 0.4103
 Alpha2 Fr= 1--      1.5128                 2.2047                 2.1441
 Beta2  Fr= 1--      4.3307                 5.5146                12.6553
 AlphaG Fr= 1--     -1.3460                 0.3963                -0.2303
 Gamma2 Fr= 1--     -8.7420                 6.6439                -6.0517
 Delta2 Fr= 1--     -2.6417                 0.7662                 0.3169
 Raman1 Fr= 1--     393.556                551.255                740.294
 ROA1   Fr= 1--    -923.767                662.334               -570.818
 CID1   Fr= 1--      -2.347                  1.202                 -0.771
 Raman2 Fr= 1--      51.969                 66.175                151.863
 ROA2   Fr= 1--    -188.674                153.325               -147.775
 CID2   Fr= 1--      -3.631                  2.317                 -0.973
 Raman3 Fr= 1--     103.937                132.350                303.727
 ROA3   Fr= 1--    -923.767                662.334               -570.818
 CID3   Fr= 1--      -8.888                  5.004                 -1.879
 RC180  Fr= 1--      -0.472                 -0.520                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219986D+03  0.628452D+01  0.780026D+01
      2   0.628452D+01  0.156450D+03 -0.858372D+01
      3   0.780026D+01 -0.858372D+01  0.141609D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.761554D+01  0.415360D+01 -0.976290D-01
      2  -0.119868D+02  0.107905D+02 -0.502672D+02
      3  -0.372707D+02  0.515403D+02 -0.196651D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194989D+03  0.209288D+02 -0.468684D+02
      2   0.837654D+02 -0.232631D+02 -0.111946D+01
      3   0.111224D+03  0.233439D+01  0.479879D+02
      4   0.290978D+02 -0.111867D+03  0.308113D+02
      5   0.122652D+02  0.335754D+02 -0.956059D+02
      6   0.812145D+01  0.239360D+02  0.269829D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112402D+02  0.172917D+01  0.280524D+01  0.138603D+02 -0.189659D+00
      2   0.172917D+01 -0.229379D+01 -0.199581D-02 -0.189659D+00  0.225546D+01
      3   0.280524D+01 -0.199581D-02  0.399823D+00  0.145080D+01  0.991787D+00
                 6             7             8             9            10 
      1   0.145080D+01 -0.715397D+00 -0.200628D+01  0.153127D+00 -0.332178D+02
      2   0.991787D+00 -0.200628D+01  0.851259D+00  0.651338D+00 -0.177029D+00
      3  -0.504968D+00  0.153127D+00  0.651338D+00 -0.425744D+01 -0.414452D+01
                11            12            13            14            15 
      1  -0.177029D+00 -0.414452D+01  0.437052D+00 -0.163508D+01 -0.164985D+01
      2  -0.268648D+01  0.851382D+00 -0.163508D+01 -0.163199D+01 -0.322927D+00
      3   0.851382D+00 -0.205479D+01 -0.164985D+01 -0.322927D+00 -0.124095D+01
                16            17            18            19            20 
      1  -0.877040D+01 -0.168696D+01 -0.456731D+01 -0.867933D+01 -0.804435D+00
      2  -0.168696D+01 -0.103581D+01 -0.618116D+00 -0.804435D+00  0.113811D+01
      3  -0.456731D+01 -0.618116D+00 -0.318148D+01 -0.307609D+01 -0.152606D+01
                21            22            23            24            25 
      1  -0.307609D+01  0.112253D+02  0.549552D+00  0.312265D+01 -0.116760D+02
      2  -0.152606D+01  0.549552D+00  0.299046D+01  0.128120D+01 -0.109124D+01
      3   0.251834D+01  0.312265D+01  0.128120D+01  0.932162D+00 -0.102861D+01
                26            27            28            29            30 
      1  -0.109124D+01 -0.102861D+01  0.295215D+02  0.208369D+01  0.537851D+01
      2   0.201323D+01  0.814789D+00  0.208369D+01  0.248623D+01 -0.284342D-01
      3   0.814789D+00 -0.203317D+01  0.537851D+01 -0.284342D-01  0.297099D+01
                31            32            33            34            35 
      1   0.194092D+01  0.144362D+01  0.188132D+01  0.641810D+01  0.235329D+01
      2   0.144362D+01 -0.490690D+00  0.761750D+00  0.235329D+01  0.208987D+01
      3   0.188132D+01  0.761750D+00  0.225636D+01  0.577316D+01  0.771547D+00
                36            37            38            39            40 
      1   0.577316D+01 -0.127781D+02 -0.158599D+01 -0.364192D+01 -0.155632D+02
      2   0.771547D+00 -0.158599D+01  0.395109D+01 -0.429585D-01 -0.127978D+01
      3   0.248582D+01 -0.364192D+01 -0.429585D-01 -0.653609D+00 -0.139060D+01
                41            42            43            44            45 
      1  -0.127978D+01 -0.139060D+01 -0.802816D-01  0.198204D+01  0.415370D+00
      2  -0.175653D+01 -0.157782D+01  0.198204D+01 -0.817702D+00 -0.956413D+00
      3  -0.157782D+01 -0.171959D+00  0.415370D+00 -0.956413D+00  0.446622D+01
                46            47            48            49            50 
      1   0.102504D+02  0.673096D+00  0.327836D+01 -0.100488D+02  0.100272D+01
      2   0.673096D+00 -0.213245D+01  0.167642D+01  0.100272D+01 -0.237106D+01
      3   0.327836D+01  0.167642D+01 -0.212141D+01 -0.296536D+01 -0.129754D+01
                51            52            53            54            55 
      1  -0.296536D+01  0.131112D+02  0.506083D+00  0.859020D-01  0.205548D+02
      2  -0.129754D+01  0.506083D+00 -0.354731D+01 -0.121463D+01 -0.170280D+01
      3  -0.118761D+01  0.859020D-01 -0.121463D+01  0.151220D+01 -0.841203D+00
                56            57            58            59            60 
      1  -0.170280D+01 -0.841203D+00 -0.510293D+01  0.378972D+01  0.142373D+01
      2   0.221603D+01  0.106396D+01  0.378972D+01  0.524684D+01  0.241693D+01
      3   0.106396D+01  0.179226D+01  0.142373D+01  0.241693D+01 -0.307026D+01
                61            62            63            64            65 
      1  -0.568096D+01  0.168696D+01  0.377773D+01 -0.227462D+01  0.332395D+01
      2   0.168696D+01  0.796751D+00 -0.227891D+01  0.332395D+01 -0.154172D+01
      3   0.377773D+01 -0.227891D+01  0.505353D+01  0.608318D+01 -0.885710D+00
                66            67            68            69            70 
      1   0.608318D+01  0.891545D+01 -0.133520D+01 -0.110009D+01  0.157439D+02
      2  -0.885710D+00 -0.133520D+01 -0.545714D+01 -0.852094D+00 -0.197162D+01
      3   0.192415D+00 -0.110009D+01 -0.852094D+00  0.385778D+01  0.692006D+00
                71            72            73            74            75 
      1  -0.197162D+01  0.692006D+00  0.584282D+00 -0.341876D+01 -0.487261D+01
      2  -0.127746D+01  0.403083D+01 -0.341876D+01  0.203839D+01  0.138535D+01
      3   0.403083D+01 -0.181878D+01 -0.487261D+01  0.138535D+01  0.260713D+00
                76            77            78            79            80 
      1  -0.373917D+01  0.103837D+01  0.929680D+00 -0.682994D+01  0.185190D+01
      2   0.103837D+01  0.323593D+01  0.971290D+00  0.185190D+01  0.151740D+01
      3   0.929680D+00  0.971290D+00 -0.360332D+01  0.838184D+00 -0.490776D+01
                81            82            83            84            85 
      1   0.838184D+00  0.876526D+00 -0.215299D+01 -0.549561D+01 -0.381086D+01
      2  -0.490776D+01 -0.215299D+01  0.141172D+01  0.855160D+00  0.191450D+01
      3   0.287397D+01 -0.549561D+01  0.855160D+00  0.103305D+01  0.199817D+01
                86            87            88            89            90 
      1   0.191450D+01  0.199817D+01 -0.674958D+01  0.157968D+01  0.411406D+00
      2   0.686337D+01  0.134893D+00  0.157968D+01  0.157196D+01 -0.318256D+01
      3   0.134893D+00 -0.340203D+01  0.411406D+00 -0.318256D+01  0.790869D+00
                91            92            93            94            95 
      1  -0.700679D+01  0.823599D+00  0.621038D+00 -0.211806D+01 -0.256429D+01
      2   0.823599D+00 -0.135570D+01 -0.763255D+00 -0.256429D+01  0.159538D+01
      3   0.621038D+00 -0.763255D+00 -0.263999D+01 -0.253864D+01 -0.454074D+01
                96            97            98            99           100 
      1  -0.253864D+01  0.531852D+01 -0.177695D+01 -0.602796D+01 -0.225227D+01
      2  -0.454074D+01 -0.177695D+01 -0.342318D+01 -0.569025D+00 -0.229651D+01
      3  -0.274559D+01 -0.602796D+01 -0.569025D+00 -0.645162D+00 -0.461044D+00
               101           102           103           104           105 
      1  -0.229651D+01 -0.461044D+00 -0.606875D+01 -0.247977D+01  0.281141D+01
      2  -0.108454D+01  0.420156D+00 -0.247977D+01 -0.220393D+01  0.273206D+01
      3   0.420156D+00  0.205864D+01  0.281141D+01  0.273206D+01 -0.182275D+01
               106           107           108           109           110 
      1  -0.213975D+00  0.122720D+01  0.253146D+01  0.570623D+01  0.385016D+01
      2   0.122720D+01  0.213465D+01 -0.710766D+00  0.385016D+01  0.227052D+01
      3   0.253146D+01 -0.710766D+00 -0.253679D+01 -0.152760D+01 -0.478957D+00
               111           112           113           114           115 
      1  -0.152760D+01  0.112639D+02  0.429362D+01 -0.207175D+01 -0.487624D+01
      2  -0.478957D+00  0.429362D+01  0.786578D+01 -0.179963D+01 -0.126868D+01
      3   0.412013D+00 -0.207175D+01 -0.179963D+01  0.325283D+01  0.164768D+01
               116           117           118           119           120 
      1  -0.126868D+01  0.164768D+01 -0.951985D+00 -0.878626D+00  0.250744D+01
      2  -0.221143D+01  0.228397D+01 -0.878626D+00 -0.452543D-01 -0.840574D+00
      3   0.228397D+01 -0.209936D+01  0.250744D+01 -0.840574D+00 -0.338550D+01
               121           122           123           124           125 
      1  -0.565424D+01  0.205835D+01  0.128969D+00  0.306623D+01 -0.129567D+01
      2   0.205835D+01 -0.501837D+01 -0.165211D+01 -0.129567D+01  0.323248D+00
      3   0.128969D+00 -0.165211D+01 -0.846344D+00 -0.372664D+01 -0.194514D+00
               126           127           128           129           130 
      1  -0.372664D+01 -0.169942D+01  0.134719D+01 -0.122857D+01  0.141404D+01
      2  -0.194514D+00  0.134719D+01 -0.946493D+00  0.974619D+00 -0.156836D+01
      3   0.394668D+01 -0.122857D+01  0.974619D+00 -0.119520D+01  0.118183D+01
               131           132           133           134           135 
      1  -0.156836D+01  0.118183D+01 -0.179589D+01  0.170146D+01 -0.132866D+01
      2   0.409195D+01 -0.286559D+01  0.170146D+01 -0.283244D+01  0.227029D+01
      3  -0.286559D+01  0.283364D+01 -0.132866D+01  0.227029D+01 -0.245668D+01
               136           137           138           139           140 
      1   0.352627D+01  0.206556D+01 -0.409250D+00  0.253460D+01  0.264248D+01
      2   0.206556D+01  0.205573D+01 -0.399837D+00  0.264248D+01  0.443660D+01
      3  -0.409250D+00 -0.399837D+00  0.499127D+00 -0.100798D+01 -0.148527D+01
               141           142           143           144           145 
      1  -0.100798D+01 -0.720567D+00 -0.815856D+00  0.467220D+00  0.180314D+01
      2  -0.148527D+01 -0.815856D+00 -0.191686D+01  0.782143D+00 -0.151443D+01
      3   0.116005D+01  0.467220D+00  0.782143D+00 -0.703955D+00  0.149523D+01
               146           147           148           149           150 
      1  -0.151443D+01  0.149523D+01 -0.141230D+01  0.182375D+01 -0.128378D+01
      2   0.140412D+01 -0.120426D+01  0.182375D+01 -0.530087D+01  0.309307D+01
      3  -0.120426D+01  0.130925D+01 -0.128378D+01  0.309307D+01 -0.272965D+01
               151           152           153           154           155 
      1   0.137570D+01 -0.166270D+01  0.119943D+01 -0.323999D+01 -0.248349D+01
      2  -0.166270D+01  0.333986D+01 -0.225849D+01 -0.248349D+01 -0.285183D+01
      3   0.119943D+01 -0.225849D+01  0.195021D+01  0.525968D+00  0.407130D+00
               156           157           158           159           160 
      1   0.525968D+00 -0.297993D+01 -0.334314D+01  0.101843D+01  0.657943D+00
      2   0.407130D+00 -0.334314D+01 -0.600589D+01  0.148178D+01  0.679845D+00
      3  -0.255603D+00  0.101843D+01  0.148178D+01 -0.995438D+00 -0.373217D+00
               161           162           163           164           165 
      1   0.679845D+00 -0.373217D+00 -0.309619D+01 -0.169628D+01 -0.423230D+00
      2   0.198758D+01 -0.739119D+00 -0.169628D+01 -0.170985D+01 -0.785961D+00
      3  -0.739119D+00  0.447068D+00 -0.423230D+00 -0.785961D+00 -0.789655D+00
               166           167           168           169           170 
      1  -0.459866D+01 -0.285808D+01 -0.152014D+01  0.196565D+01 -0.637440D+00
      2  -0.285808D+01 -0.710282D+01 -0.267017D+01 -0.637440D+00 -0.100303D+01
      3  -0.152014D+01 -0.267017D+01 -0.176821D+01 -0.803732D+00 -0.111951D+01
               171           172           173           174           175 
      1  -0.803732D+00 -0.153608D+01  0.697264D+00 -0.118600D+01  0.417480D+01
      2  -0.111951D+01  0.697264D+00 -0.390342D+00  0.453548D-01 -0.944518D+00
      3  -0.143772D+01 -0.118600D+01  0.453548D-01 -0.106502D+01  0.101501D+01
               176           177           178           179           180 
      1  -0.944518D+00  0.101501D+01 -0.234602D+01  0.264941D+00 -0.262738D+01
      2   0.547300D+00 -0.149508D+01  0.264941D+00 -0.103056D+01  0.122879D+01
      3  -0.149508D+01  0.298454D+01 -0.262738D+01  0.122879D+01 -0.845372D+01
               181           182           183           184           185 
      1  -0.115475D+02 -0.112765D+01 -0.383977D+01 -0.235775D+01 -0.161493D+01
      2  -0.112765D+01 -0.113194D+01 -0.187537D+00 -0.161493D+01  0.721146D-01
      3  -0.383977D+01 -0.187537D+00 -0.229142D+01 -0.141090D+00 -0.540056D+00
               186           187           188           189           190 
      1  -0.141090D+00 -0.611131D+01  0.320285D-01 -0.287495D+01 -0.292990D+00
      2  -0.540056D+00  0.320285D-01 -0.641097D+00 -0.723536D+00  0.101500D+01
      3  -0.817260D+00 -0.287495D+01 -0.723536D+00 -0.219957D+01 -0.451851D+00
               191           192           193           194           195 
      1   0.101500D+01 -0.451851D+00  0.980871D+00 -0.635202D+00  0.213388D+00
      2  -0.299936D+00 -0.113175D-02 -0.635202D+00  0.302519D+01 -0.221318D+01
      3  -0.113175D-02 -0.257959D+00  0.213388D+00 -0.221318D+01  0.244770D+01
               196           197           198           199           200 
      1  -0.109937D+01  0.576815D+00 -0.525815D+00  0.584343D+01  0.226638D+00
      2   0.576815D+00 -0.376365D+01  0.341375D+01  0.226638D+00  0.193137D+01
      3  -0.525815D+00  0.341375D+01 -0.541939D+01  0.162315D+01  0.475861D+00
               201           202           203           204           205 
      1   0.162315D+01  0.597615D+00  0.772594D+00  0.220331D+00  0.221495D+01
      2   0.475861D+00  0.772594D+00  0.929203D+00  0.358371D+00  0.307813D+00
      3   0.143495D+01  0.220331D+00  0.358371D+00  0.752257D+00  0.933357D+00
               206           207           208           209           210 
      1   0.307813D+00  0.933357D+00 -0.635623D+01  0.378518D+01  0.265184D+01
      2   0.104245D+01  0.114736D+01  0.378518D+01 -0.328914D+01 -0.137819D+01
      3   0.114736D+01  0.129765D+01  0.265184D+01 -0.137819D+01 -0.180469D+01
               211           212           213           214           215 
      1   0.249861D+01 -0.268623D+01 -0.112012D+01  0.359555D+01 -0.216418D+01
      2  -0.268623D+01  0.266033D+01  0.115357D+01 -0.216418D+01  0.221939D+01
      3  -0.112012D+01  0.115357D+01  0.117533D+01 -0.233737D+01  0.204908D+01
               216           217           218           219           220 
      1  -0.233737D+01  0.591866D+01  0.470500D+00  0.130344D+01  0.566135D+00
      2   0.204908D+01  0.470500D+00  0.748638D+00 -0.134819D+00  0.204786D+00
      3   0.194866D+01  0.130344D+01 -0.134819D+00  0.243606D+01  0.884999D-01
               221           222           223           224           225 
      1   0.204786D+00  0.884999D-01  0.207547D+01 -0.524551D-01  0.119093D+01
      2  -0.455566D+00  0.475334D+00 -0.524551D-01  0.553305D+00  0.155689D+00
      3   0.475334D+00  0.770163D+00  0.119093D+01  0.155689D+00  0.267054D+01
               226           227           228           229           230 
      1  -0.115563D+01 -0.126648D+01  0.687147D+00 -0.198932D+01 -0.218041D+01
      2  -0.126648D+01 -0.148311D+01  0.594177D-01 -0.218041D+01 -0.865081D+01
      3   0.687147D+00  0.594177D-01 -0.414207D+00  0.439347D+00  0.953821D+00
               231           232           233           234           235 
      1   0.439347D+00  0.185593D+00 -0.153000D+00 -0.272895D+00 -0.707881D+01
      2   0.953821D+00 -0.153000D+00 -0.579096D+00 -0.593398D+00  0.931000D+00
      3  -0.126944D+01 -0.272895D+00 -0.593398D+00 -0.449797D-02  0.446417D+01
               236           237           238           239           240 
      1   0.931000D+00  0.446417D+01  0.271314D+01 -0.145330D+01 -0.170034D+01
      2  -0.121473D+01 -0.500830D+00 -0.145330D+01  0.415955D+00  0.856531D+00
      3  -0.500830D+00 -0.337562D+01 -0.170034D+01  0.856531D+00  0.201526D+01
               241           242           243           244           245 
      1   0.403839D+01 -0.592264D+00 -0.358153D+01 -0.281691D+00 -0.159502D+01
      2  -0.592264D+00  0.538325D+00  0.797778D+00 -0.159502D+01  0.857302D+00
      3  -0.358153D+01  0.797778D+00  0.386953D+01  0.392721D+00 -0.396017D+00
               246           247           248           249           250 
      1   0.392721D+00 -0.274614D+01  0.144327D+01 -0.799288D+00  0.666015D+00
      2  -0.396017D+00  0.144327D+01 -0.444432D+01  0.203260D+01 -0.542210D+00
      3   0.734073D+00 -0.799288D+00  0.203260D+01 -0.199506D+01  0.141887D+01
               251           252           253           254           255 
      1  -0.542210D+00  0.141887D+01 -0.806322D+01 -0.193297D+01 -0.680106D+01
      2   0.210276D+01 -0.146767D+01 -0.193297D+01  0.645330D+00 -0.511923D+00
      3  -0.146767D+01  0.249543D+01 -0.680106D+01 -0.511923D+00  0.119810D+01
               256           257           258           259           260 
      1   0.328113D+01  0.245980D+01  0.143516D+01 -0.307873D+01  0.679471D+00
      2   0.245980D+01 -0.124056D+01  0.389949D+01  0.679471D+00  0.377841D+01
      3   0.143516D+01  0.389949D+01  0.302982D+01  0.291209D+01  0.120519D+01
               261           262           263           264           265 
      1   0.291209D+01  0.494756D+01 -0.175244D+01 -0.353828D+01  0.534094D+00
      2   0.120519D+01 -0.175244D+01  0.133925D+01  0.111731D+01  0.617841D+00
      3  -0.766373D+00 -0.353828D+01  0.111731D+01  0.328036D+01 -0.468453D+00
               266           267           268           269           270 
      1   0.617841D+00 -0.468453D+00 -0.485370D+01  0.170942D+01  0.488669D+01
      2  -0.831253D+00 -0.528348D+00  0.170942D+01 -0.175915D+01 -0.183300D+01
      3  -0.528348D+00  0.369735D+00  0.488669D+01 -0.183300D+01 -0.594106D+01
               271           272           273           274           275 
      1   0.402431D+00  0.805737D+00  0.188911D+00  0.153251D+01  0.596671D-01
      2   0.805737D+00 -0.700991D+00 -0.254596D-01  0.596671D-01  0.589421D+01
      3   0.188911D+00 -0.254596D-01 -0.397393D+00  0.301922D+00 -0.498008D+00
               276           277           278           279           280 
      1   0.301922D+00 -0.848569D+00 -0.127374D+00 -0.526558D+00  0.120824D+02
      2  -0.498008D+00 -0.127374D+00 -0.202267D+01  0.364589D+00  0.233831D+01
      3   0.141418D+01 -0.526558D+00  0.364589D+00 -0.106684D+01  0.562572D+01
               281           282           283           284           285 
      1   0.233831D+01  0.562572D+01  0.300967D+00  0.110689D+01  0.163332D+00
      2   0.158601D+01  0.141408D+01  0.110689D+01  0.635254D+00  0.415989D+00
      3   0.141408D+01  0.374086D+01  0.163332D+00  0.415989D+00 -0.176996D+00
               286           287           288           289           290 
      1   0.388249D+01  0.803039D+00  0.292072D+01 -0.174921D+01  0.219839D+00
      2   0.803039D+00  0.319794D+00  0.725678D+00  0.219839D+00 -0.921528D+00
      3   0.292072D+01  0.725678D+00  0.298502D+01  0.230653D+01 -0.652297D+00
               291           292           293           294           295 
      1   0.230653D+01 -0.581296D+00 -0.453566D+00 -0.664969D-01  0.213124D+01
      2  -0.652297D+00 -0.453566D+00  0.200477D+00  0.328070D+00 -0.971105D-01
      3  -0.356895D+01 -0.664969D-01  0.328070D+00 -0.903964D+00 -0.165269D+01
               296           297 
      1  -0.971105D-01 -0.165269D+01
      2   0.681208D+00  0.674622D+00
      3   0.674622D+00  0.622863D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.154632D+01  0.351760D+01  0.702618D-01  0.592629D+01  0.732263D+00
      2   0.420850D+01 -0.448126D+01  0.458233D+01 -0.144153D+01 -0.551784D+01
      3  -0.162811D+02 -0.709551D+01  0.192543D+01 -0.271564D+01 -0.209933D+01
                 6             7             8             9            10 
      1  -0.238818D+01  0.546602D+01  0.277999D+01  0.136114D+01 -0.485523D+01
      2   0.183427D+01 -0.126832D+02 -0.327024D+01  0.103066D+01 -0.754438D+01
      3   0.831729D+00  0.567035D+01  0.941703D+00 -0.745181D+00  0.207106D+02
                11            12            13            14            15 
      1  -0.213895D+01  0.565278D+00 -0.104752D+02  0.522062D+01 -0.141525D+01
      2   0.135334D+01 -0.257454D+01  0.754655D+01  0.446488D+01 -0.194426D+01
      3   0.155793D+01  0.209960D+01  0.216701D+02  0.206443D+01  0.234503D+01
                16            17            18            19            20 
      1   0.343199D+01  0.658768D+01 -0.596782D+01 -0.336625D+00 -0.136105D+01
      2  -0.162962D+02 -0.197870D+01 -0.284409D+00  0.561280D+01 -0.446698D+00
      3  -0.814792D+00  0.140693D+01  0.856027D+00  0.888083D+01 -0.432107D+01
                21            22            23            24            25 
      1  -0.154630D+00 -0.159620D+01 -0.222913D+01 -0.290182D+01 -0.687224D+01
      2   0.144654D+01 -0.719158D+01  0.218384D+01 -0.899325D+00 -0.941539D+01
      3   0.336044D+01 -0.210273D+01  0.430849D+00 -0.191332D+01  0.114472D+02
                26            27            28            29            30 
      1   0.173241D+01 -0.411449D+01  0.243846D+01 -0.445369D+01  0.388703D+01
      2   0.158969D+01 -0.301147D+01  0.497289D+01  0.231780D+01  0.488507D+00
      3  -0.151633D+01  0.542908D+01 -0.169232D+02  0.597749D+00 -0.506125D+01
                31            32            33            34            35 
      1  -0.736731D+01  0.429150D+01 -0.829896D+00  0.852421D+01  0.696639D+01
      2   0.540144D+01  0.455047D+01  0.217970D+01 -0.125706D+02 -0.105732D+01
      3   0.242985D+02  0.416638D+01  0.230546D+01 -0.102336D+02  0.123775D+01
                36            37            38            39            40 
      1  -0.205878D+01 -0.342006D+01  0.111240D+01 -0.692767D+00  0.887969D+00
      2  -0.579596D+01 -0.463810D+00 -0.429513D+01  0.347010D+01  0.730848D+00
      3  -0.632557D+01  0.436413D+01 -0.413951D+01  0.560909D+01  0.133523D+02
                41            42            43            44            45 
      1   0.270178D+00 -0.231101D+01  0.373225D+01  0.131074D+01  0.487781D+01
      2  -0.418092D+01 -0.947909D+00 -0.937006D+01 -0.296607D+01  0.125843D+01
      3  -0.710857D-01  0.354567D+01  0.475278D+01  0.167218D+00  0.419651D+00
                46            47            48            49            50 
      1   0.453021D+01  0.103659D+01 -0.260437D+01 -0.492488D+01 -0.932356D+00
      2   0.723380D+01 -0.920747D+00  0.169605D+01 -0.903631D+01  0.215743D+01
      3  -0.687507D+01 -0.426385D+01 -0.195335D+01  0.106161D+02 -0.890051D+00
                51            52            53            54            55 
      1  -0.401862D+01 -0.706993D+01  0.275910D+01 -0.157428D+01  0.326549D+01
      2   0.282319D+00 -0.641515D+01  0.287624D+01 -0.280823D+01  0.249013D+02
      3   0.149618D+01 -0.543159D+01 -0.306125D+01  0.140274D+01 -0.190918D+02
                56            57            58            59            60 
      1  -0.403399D+00 -0.153763D+01 -0.372410D+01 -0.733944D+01 -0.739440D+01
      2  -0.543137D+01 -0.416798D+01 -0.106477D+02 -0.139417D+01  0.122309D+02
      3   0.604924D+01  0.376660D+01  0.248671D+02  0.153533D+02  0.755222D+01
                61            62            63            64            65 
      1  -0.204159D+01 -0.143003D+01  0.778158D+01 -0.276796D+01 -0.114206D+00
      2  -0.283159D+02  0.114242D+02 -0.123817D+02 -0.366493D+02  0.516695D+01
      3   0.958985D+01  0.238572D+01 -0.121054D+02  0.215494D+02 -0.952892D+01
                66            67            68            69            70 
      1   0.437623D+00  0.462261D+01  0.552808D+00 -0.391198D+01  0.871849D-01
      2   0.304051D+01  0.129987D+02  0.864339D+00 -0.155362D+02  0.625675D+01
      3  -0.313630D+01 -0.471136D+01 -0.231546D+02 -0.457559D+01 -0.145222D+02
                71            72            73            74            75 
      1   0.314918D+01 -0.413320D+00  0.978296D+01 -0.297086D+01 -0.104470D+01
      2  -0.178867D+02  0.840311D+01  0.214157D+02 -0.483026D+01  0.725726D+00
      3  -0.617755D+01  0.182262D+02 -0.185380D+02 -0.259787D+01 -0.429079D+01
                76            77            78            79            80 
      1  -0.208403D+01 -0.272829D+01  0.673997D+01 -0.362130D+01  0.140523D+02
      2  -0.422989D+01 -0.350346D+01  0.139785D+02 -0.581777D+01  0.192026D+02
      3  -0.242712D+01  0.170387D+02  0.625329D+01 -0.466553D+01  0.998085D+01
                81            82            83            84            85 
      1  -0.655153D+01 -0.604564D+01  0.314773D+01  0.271649D+01  0.589831D+01
      2  -0.113059D+02  0.272055D+02 -0.247034D+01  0.800251D+01 -0.572833D+01
      3  -0.192879D+02 -0.916618D+01  0.549705D+01  0.878712D+01  0.123506D+02
                86            87            88            89            90 
      1   0.125466D+02 -0.518300D+01  0.385659D+01  0.153407D+01 -0.499297D+01
      2  -0.245204D+01  0.124717D+02  0.655431D+01  0.121037D+02 -0.478952D+01
      3   0.283700D+02 -0.279798D+00  0.131825D+02  0.619006D+01 -0.146765D+02
                91            92            93            94            95 
      1  -0.204821D+01 -0.238759D+01 -0.554404D+00 -0.583464D+01  0.161235D+01
      2   0.157439D+02 -0.205456D+01 -0.276190D+01 -0.449337D+01 -0.117187D+02
      3  -0.747145D+00 -0.657030D+00  0.243640D+01  0.163905D+02 -0.606625D+01
                96            97            98            99           100 
      1  -0.921364D+01  0.157445D+01 -0.204215D+00  0.188564D+00  0.258112D+01
      2  -0.514679D+01 -0.337432D+02 -0.151132D+01  0.228662D+01 -0.281767D+02
      3   0.152215D+02  0.456800D+01  0.122246D+02  0.315677D+01  0.510643D+01
               101           102           103           104           105 
      1   0.693909D+01  0.263436D+01  0.313755D+01  0.249343D+01  0.636823D+01
      2   0.374512D+01  0.101931D+02  0.124321D+02  0.961552D+01 -0.920198D+01
      3   0.118038D+01 -0.197445D+01  0.866295D+01  0.122925D+02 -0.106793D+02
               106           107           108           109           110 
      1  -0.158204D+01  0.443727D+01 -0.412987D-01 -0.172988D+01 -0.346461D+01
      2  -0.169995D+01 -0.350172D+01  0.480939D+01  0.161106D+01 -0.155846D+01
      3  -0.181325D+01 -0.179071D+02  0.843040D+00 -0.107791D+02 -0.116518D+02
               111           112           113           114           115 
      1  -0.316302D+01 -0.116039D+00 -0.553234D+01 -0.756905D+01 -0.946608D+00
      2   0.494475D+01 -0.117193D+02 -0.847326D+01  0.140033D+02  0.792340D+01
      3   0.152974D+01 -0.659909D+01 -0.328663D+02  0.598492D+01 -0.554633D+00
               116           117           118           119           120 
      1   0.357835D+01  0.163190D+01  0.299507D+01 -0.800149D+00 -0.988497D+00
      2   0.957518D+01 -0.121815D+02  0.115481D+02 -0.435314D+01 -0.899990D+01
      3   0.122880D+02 -0.847368D+01  0.397477D+01 -0.211756D+01  0.108966D+01
               121           122           123           124           125 
      1   0.320041D+01  0.349218D+01 -0.748077D+01 -0.207651D+01  0.160490D+01
      2   0.189076D+01 -0.512364D+01 -0.457144D+01 -0.113775D+02 -0.132360D+01
      3  -0.526608D+00  0.198610D+02  0.415331D+01  0.446312D+01  0.111955D+01
               126           127           128           129           130 
      1   0.297923D+01 -0.858852D+00  0.908170D+00  0.922259D+00  0.135015D+01
      2   0.117511D+02 -0.308068D+01  0.107588D+01 -0.107839D+00  0.213763D+01
      3   0.423903D+01 -0.307313D+01  0.469575D+00 -0.541474D+00  0.249205D+01
               131           132           133           134           135 
      1  -0.331689D+01 -0.119553D+01 -0.150846D+01  0.404506D+01 -0.237735D+00
      2   0.320543D+00 -0.171674D+01 -0.408317D+01  0.264209D+00  0.109538D+01
      3   0.149395D+01 -0.587872D+00 -0.229096D+01 -0.814625D+00  0.158404D+00
               136           137           138           139           140 
      1  -0.167096D+01 -0.238090D+01 -0.152149D+01 -0.120830D+01 -0.163205D+01
      2   0.419333D+01  0.178380D+01  0.805691D+00  0.261268D+01  0.150674D+01
      3   0.595017D+01  0.564637D+00 -0.316639D+00  0.475946D+01 -0.113289D+01
               141           142           143           144           145 
      1  -0.268747D+01 -0.287443D+00  0.188861D+01  0.361121D-01  0.176820D+01
      2   0.126959D+01 -0.581124D+00 -0.479007D+00 -0.635964D+00 -0.111896D+01
      3  -0.172483D+00  0.707879D+00  0.128615D+01  0.275833D+00 -0.445196D+01
               146           147           148           149           150 
      1  -0.592279D+00  0.266860D+01 -0.782494D+00  0.525738D+00 -0.457835D+01
      2   0.137879D+00  0.487774D+00  0.820522D+00  0.710950D+00 -0.207494D+01
      3   0.959537D+00 -0.195264D+01  0.356118D+01  0.235532D-01  0.973232D+00
               151           152           153           154           155 
      1   0.625467D+00  0.136638D+01  0.202675D+01  0.698295D+00 -0.591662D+00
      2  -0.246096D+01 -0.202060D+00  0.702752D+00  0.149804D+01  0.618687D+00
      3  -0.350177D+01  0.718717D+00 -0.124629D+01  0.663783D+01  0.725474D+00
               156           157           158           159           160 
      1  -0.189299D+01  0.188892D+01  0.174741D+01 -0.394640D+01 -0.149414D+00
      2   0.105659D+01  0.437428D-01  0.348075D+00  0.176473D+01 -0.148639D+01
      3  -0.865039D+00  0.569572D+01 -0.118425D+01 -0.559806D+00  0.108839D+00
               161           162           163           164           165 
      1   0.769951D+00  0.788017D+00  0.182656D+01  0.203228D+01 -0.119213D+00
      2   0.157858D+00 -0.584490D+00 -0.334478D+01  0.627693D-01  0.331666D+01
      3   0.112908D+01  0.383739D-01 -0.445200D+01 -0.602342D+01 -0.230509D+01
               166           167           168           169           170 
      1   0.265648D+01  0.925668D+01 -0.450769D+00  0.743469D+00  0.189012D+01
      2  -0.118688D+01  0.394467D+01  0.434241D+01  0.289352D+01  0.209622D+01
      3  -0.323855D+01 -0.219372D+02 -0.801208D+01 -0.383651D+01 -0.307639D+01
               171           172           173           174           175 
      1  -0.174855D-01 -0.167667D+01  0.899198D+00 -0.486972D+00  0.160209D+01
      2   0.376365D+01  0.247332D+01  0.505153D+00  0.316019D+01  0.251990D+01
      3  -0.273969D+01  0.471876D+01 -0.328464D+01  0.115629D+01 -0.398881D+01
               176           177           178           179           180 
      1  -0.247239D+01  0.289883D+01 -0.176672D+01  0.560099D+01 -0.679560D+01
      2   0.332378D+01 -0.896565D+01  0.284646D+01 -0.346009D+01  0.242545D+02
      3   0.216915D+01 -0.579263D+01  0.216429D+01 -0.430100D+01  0.695007D+01
               181           182           183           184           185 
      1   0.305723D+00  0.118230D+01 -0.167040D-01  0.158242D+00  0.328124D-01
      2   0.908306D+01  0.862338D-01  0.114138D+02 -0.146396D+01  0.136913D+01
      3  -0.373008D+01 -0.841612D+01 -0.415010D+00 -0.465643D+01  0.104666D+01
               186           187           188           189           190 
      1  -0.744212D+00 -0.137755D+00  0.165135D+01  0.208032D+00  0.585526D+00
      2   0.384406D+01  0.581363D+01  0.373923D+01  0.809986D+01  0.199397D+01
      3  -0.215693D+01  0.181997D+01 -0.332542D+01 -0.329092D+01  0.556917D+01
               191           192           193           194           195 
      1   0.784619D-02  0.165786D+00 -0.273587D+00  0.319837D+01 -0.686776D+01
      2   0.148048D+00  0.124314D+01  0.173088D+00  0.821629D+01 -0.926678D+01
      3  -0.242958D+00 -0.737268D+00  0.139797D+01  0.111250D+02 -0.913967D+01
               196           197           198           199           200 
      1   0.318023D+00 -0.351914D+01  0.121882D+02 -0.297706D+01 -0.219443D+00
      2  -0.126654D+01 -0.125140D+02  0.208840D+02 -0.903563D+01 -0.187082D+01
      3  -0.117660D+01 -0.152713D+02  0.141609D+02  0.199244D+02  0.686610D+01
               201           202           203           204           205 
      1  -0.380002D+01 -0.305932D+00 -0.928694D+00 -0.228598D+01 -0.245522D+01
      2  -0.433819D+01 -0.800224D+00 -0.159215D+01 -0.214810D+01 -0.617688D+01
      3   0.601270D+01  0.725416D+01  0.436981D+01  0.241477D+01  0.616872D+01
               206           207           208           209           210 
      1  -0.546747D+00 -0.252025D+01 -0.592320D+01  0.202712D+01  0.525337D+01
      2  -0.408302D+01 -0.416513D+01 -0.106361D+02  0.561730D+01  0.949858D+01
      3   0.428570D+01  0.714670D+01  0.336551D+01 -0.950738D+01 -0.607647D+00
               211           212           213           214           215 
      1   0.301030D+01 -0.216220D+01 -0.410241D+01  0.505290D+01 -0.247471D+01
      2   0.371435D+01 -0.477060D+01 -0.572595D+01  0.792019D+01 -0.833128D+01
      3  -0.343513D+01  0.681019D+01  0.238519D+01 -0.396159D+00  0.654385D+01
               216           217           218           219           220 
      1  -0.467560D+01  0.541808D+00  0.244628D+01  0.125646D+01  0.111765D+01
      2  -0.884743D+01 -0.213884D+02  0.271942D+00 -0.119841D+02 -0.249292D+00
      3   0.479624D+01 -0.406540D+01  0.166816D+01 -0.192853D+01  0.322095D+01
               221           222           223           224           225 
      1  -0.185043D+00 -0.155883D+00  0.577624D+00  0.207229D+01  0.197258D+01
      2  -0.254404D+01 -0.310430D+01 -0.119642D+02 -0.698381D+00 -0.126189D+02
      3  -0.222991D+01  0.150440D+01 -0.252045D+01  0.106754D+01 -0.717956D+00
               226           227           228           229           230 
      1  -0.115170D+01 -0.212448D+01 -0.578944D+00 -0.234203D+01 -0.125561D+02
      2  -0.299319D+01  0.925711D+00  0.154095D+01  0.720027D+00 -0.310791D+01
      3  -0.517045D+01 -0.584009D+01 -0.185213D+00 -0.364233D+01 -0.361509D+02
               231           232           233           234           235 
      1  -0.335525D+01 -0.197638D+00 -0.147089D+00 -0.979994D+00  0.489159D+01
      2   0.580446D+01 -0.761806D+00  0.231193D+01  0.683580D+00 -0.968090D+01
      3   0.332632D+01 -0.629314D+00 -0.261003D+01 -0.222880D+01  0.877273D+01
               236           237           238           239           240 
      1  -0.389528D+01 -0.304516D+01 -0.320783D+01  0.186755D+01  0.128905D+01
      2   0.645672D+00  0.114289D+02  0.334804D+01 -0.203688D+01 -0.772511D+01
      3  -0.859436D+01 -0.507523D+01 -0.737696D+01  0.327005D+01  0.440200D+01
               241           242           243           244           245 
      1  -0.432502D+01  0.334182D+01  0.362354D+01 -0.200017D+01  0.112397D+01
      2   0.689976D+01 -0.249864D+01 -0.136541D+02  0.153767D+01  0.154467D+00
      3  -0.561790D+01  0.407908D+01  0.590833D+01  0.543813D+01 -0.274030D+01
               246           247           248           249           250 
      1  -0.359180D+00  0.101768D+01 -0.532179D+01 -0.546308D+00 -0.900767D+00
      2   0.273530D+01  0.347913D+00  0.505806D+01 -0.490497D+01  0.190690D+01
      3   0.154167D+01  0.317587D+00  0.133073D+02 -0.585575D+01  0.117334D+01
               251           252           253           254           255 
      1   0.340140D+01 -0.465236D+00  0.392854D+01  0.386038D+01 -0.380825D+01
      2  -0.368073D+01  0.572403D+01 -0.552514D+01  0.151000D+01  0.192518D+02
      3  -0.664088D+01  0.400356D+01 -0.417608D+01 -0.728709D+01 -0.677202D+01
               256           257           258           259           260 
      1   0.462003D+01 -0.101005D+02  0.428656D+01 -0.828923D+00  0.976023D+01
      2   0.248620D+01  0.974384D+01  0.768450D+01  0.158773D+02  0.372239D+01
      3  -0.858474D+01  0.635758D+01 -0.141241D+02 -0.845924D+01 -0.127565D+02
               261           262           263           264           265 
      1   0.592287D+01 -0.266903D+01 -0.851046D+00  0.299662D+01  0.241052D+00
      2  -0.685209D+01 -0.954782D+01  0.411883D+01  0.113925D+02 -0.161878D+01
      3  -0.256721D+01  0.203355D+01 -0.474115D+01 -0.120386D+01 -0.131530D+01
               266           267           268           269           270 
      1  -0.959469D+00 -0.372818D+00  0.404451D+01  0.837943D+00 -0.511123D+01
      2  -0.177744D+01  0.152847D+01  0.146520D+02 -0.638608D+01 -0.222335D+02
      3   0.183457D+01  0.158443D+01 -0.199865D+01  0.640701D+01  0.288299D+01
               271           272           273           274           275 
      1   0.248965D+01 -0.174067D+01  0.150511D+01 -0.993566D+00  0.137732D+02
      2   0.220678D+00 -0.113366D+01 -0.117640D+01 -0.139002D+01 -0.134214D+01
      3  -0.375146D+01  0.280009D+01 -0.619325D+00  0.403045D+01 -0.178129D+02
               276           277           278           279           280 
      1  -0.624288D+01  0.150217D+01 -0.424662D+01  0.478569D+01 -0.132668D+01
      2   0.333131D+01 -0.181450D+01  0.110657D+01 -0.237595D+01 -0.524571D+01
      3   0.240149D+01 -0.274458D+01  0.653275D+01 -0.232468D+01  0.485296D+01
               281           282           283           284           285 
      1   0.338389D+01 -0.178126D+01  0.191450D+01  0.149683D+01 -0.431510D+00
      2   0.862799D+00  0.456358D+01 -0.976236D-01 -0.936561D+00 -0.457937D+00
      3  -0.583318D+01  0.631066D+00 -0.174106D+01 -0.164824D+01 -0.359559D+00
               286           287           288           289           290 
      1  -0.183861D+01  0.109873D+01 -0.218869D+01 -0.271756D+01 -0.313458D+01
      2   0.339942D+00  0.630102D+00  0.500512D+01  0.128771D+02 -0.155429D+01
      3   0.216635D+01 -0.150149D+01  0.574124D+00 -0.372167D+01  0.172204D+01
               291           292           293           294           295 
      1   0.307095D+01 -0.191315D+01 -0.421543D+00  0.195273D+00  0.221385D+01
      2  -0.135716D+02  0.137038D+01  0.209316D+01 -0.221185D+01 -0.115725D+02
      3   0.428782D+01  0.211306D+01 -0.997874D+00 -0.570543D+00  0.322454D+01
               296           297 
      1   0.257707D+01 -0.595821D+01
      2   0.188570D+01  0.208724D+02
      3  -0.103236D+01 -0.473820D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.449626D+01  0.137443D+02 -0.551292D+01 -0.303746D+02  0.151384D+02
      2   0.652469D+01 -0.130291D+02  0.683188D+01  0.184508D+02 -0.421579D+01
      3  -0.202843D+01 -0.715208D+00 -0.131896D+01  0.119238D+02 -0.109226D+02
      4   0.981530D+01  0.443385D+01  0.604376D+01  0.158535D+02 -0.715206D+00
      5  -0.100600D+02  0.772719D+01 -0.557917D+01 -0.774315D+01 -0.325056D+01
      6   0.891236D+01  0.158906D+01  0.694854D+00 -0.555050D+01  0.892217D+01
                 6             7             8             9            10 
      1  -0.130877D+02  0.114785D+02  0.425220D+01 -0.107269D+02  0.637769D+02
      2   0.722860D+01 -0.818188D+01  0.155647D+01 -0.103310D+02 -0.332354D+02
      3   0.585910D+01 -0.329658D+01 -0.580867D+01  0.210579D+02 -0.305415D+02
      4  -0.308275D+01  0.102357D+02 -0.704880D+01  0.388536D+01 -0.250376D+01
      5  -0.156604D+01  0.435142D+01  0.369574D+01 -0.212338D+01  0.118789D+02
      6  -0.595401D+01  0.706576D+01 -0.145860D+01  0.415814D+01  0.519929D+00
                11            12            13            14            15 
      1  -0.231711D+01  0.778383D+01 -0.108541D+02 -0.155058D+02  0.569430D+01
      2   0.646652D+01 -0.688832D+01  0.431265D+01  0.121460D+02 -0.110276D+02
      3  -0.414941D+01 -0.895511D+00  0.654145D+01  0.335974D+01  0.533329D+01
      4   0.787420D+01 -0.513207D+01 -0.110056D+02  0.403629D+01  0.102103D+01
      5  -0.440282D+01  0.166032D+01  0.123271D+02  0.398246D+00  0.739732D+00
      6   0.205507D+01 -0.998411D+00 -0.222623D+00 -0.416940D+01  0.527321D+01
                16            17            18            19            20 
      1   0.329513D+01  0.687546D+01 -0.715934D+01  0.267291D+01 -0.148326D+02
      2  -0.544497D+01 -0.129396D+01 -0.154286D+01 -0.981688D+01  0.627375D+01
      3   0.214984D+01 -0.558151D+01  0.870220D+01  0.714397D+01  0.855883D+01
      4   0.143490D+02  0.331470D+01 -0.359443D+00 -0.135534D+02 -0.752758D+01
      5   0.966896D+01 -0.401336D-01  0.579237D+01  0.283800D+01 -0.302014D+01
      6   0.958531D+01  0.118798D+02  0.490269D+01 -0.574903D+01 -0.546112D+01
                21            22            23            24            25 
      1   0.131093D+02  0.201109D+02  0.105832D+01 -0.278590D+01 -0.129521D+02
      2  -0.102894D+01 -0.138959D+02 -0.937706D+00  0.349784D+01  0.129157D+02
      3  -0.120804D+02 -0.621496D+01 -0.120611D+00 -0.711938D+00  0.363722D-01
      4  -0.669507D+00  0.668109D+01 -0.495699D+01  0.621310D+01 -0.869023D+01
      5   0.705699D+01  0.317953D+01  0.759396D+01 -0.140417D+01  0.720472D+01
      6   0.120036D+01  0.136263D+02  0.885603D+01  0.532509D+01 -0.853181D+01
                26            27            28            29            30 
      1  -0.139744D+02 -0.582636D+00  0.135316D+02  0.454806D+01  0.194128D+01
      2   0.143706D+02 -0.470558D+01 -0.119701D+02 -0.505543D+01 -0.322111D+01
      3  -0.396212D+00  0.528821D+01 -0.156155D+01  0.507375D+00  0.127983D+01
      4  -0.108279D+01 -0.301539D+01  0.284767D+00  0.664936D+01 -0.134185D+01
      5  -0.176605D+01 -0.589233D+01  0.500617D+01 -0.105205D+01  0.483462D+01
      6  -0.652377D+00 -0.853200D+00  0.910427D+01  0.321893D+01 -0.136188D+01
                31            32            33            34            35 
      1  -0.585359D+01 -0.143488D+02  0.442241D+01 -0.363211D+01  0.778948D+01
      2  -0.366325D+01  0.802133D+01 -0.129953D+02 -0.925876D+00 -0.580611D+01
      3   0.951684D+01  0.632748D+01  0.857287D+01  0.455798D+01 -0.198337D+01
      4  -0.945227D+01 -0.195293D+01  0.170130D+01  0.162439D+02  0.322270D+01
      5   0.129033D+02  0.195684D+01  0.635703D+01  0.145165D+02  0.186310D+01
      6  -0.534502D+01 -0.652880D+01  0.400084D+01  0.440751D+01  0.105425D+02
                36            37            38            39            40 
      1  -0.244786D+01  0.888296D+01  0.206822D+02 -0.136996D+01 -0.204034D+02
      2  -0.149405D+01  0.290600D+01 -0.211918D+02  0.478082D+01  0.173875D+02
      3   0.394191D+01 -0.117890D+02  0.509620D+00 -0.341085D+01  0.301592D+01
      4   0.112686D+01  0.587209D+01 -0.170886D+01  0.611735D+01  0.943787D+01
      5  -0.900723D+00 -0.710104D+01  0.865273D+01 -0.705258D+01  0.167929D+01
      6   0.322818D+01  0.482062D+01 -0.454942D+01 -0.109543D+01 -0.984091D+01
                41            42            43            44            45 
      1   0.551791D+01 -0.969511D+01  0.606444D+01 -0.252944D+01 -0.825321D+01
      2   0.404088D+01  0.107652D+02 -0.976525D+01  0.736217D+01 -0.666788D+01
      3  -0.955878D+01 -0.107008D+01  0.370081D+01 -0.483273D+01  0.149211D+02
      4   0.157761D+01 -0.543800D+01  0.489801D+01 -0.110893D+02  0.522093D+01
      5  -0.453319D+01 -0.396192D+01  0.100121D+02  0.510702D+01 -0.880489D+00
      6   0.125616D+02 -0.701432D+01  0.644317D+01  0.122651D+01 -0.573288D+00
                46            47            48            49            50 
      1  -0.166728D+01 -0.162283D+02  0.754160D+01  0.282549D+02 -0.656029D+01
      2  -0.757353D+01  0.855813D+01 -0.327761D+01 -0.225526D+02  0.466436D+01
      3   0.924081D+01  0.767020D+01 -0.426399D+01 -0.570225D+01  0.189593D+01
      4  -0.989774D+01 -0.990045D+01 -0.176946D+00  0.806851D-01 -0.721455D+01
      5  -0.451527D+01 -0.265762D+01  0.880135D+01  0.924666D+01  0.540751D+01
      6  -0.239542D+01 -0.732480D+01  0.604301D+01  0.106242D+02  0.123751D+02
                51            52            53            54            55 
      1  -0.207243D+01 -0.292428D+02 -0.206705D+02 -0.685581D-02 -0.576640D+02
      2   0.418564D+01  0.175101D+02  0.225637D+02 -0.197907D+01  0.259200D+02
      3  -0.211321D+01  0.117327D+02 -0.189312D+01  0.198593D+01  0.317440D+02
      4   0.577584D+01 -0.794536D+01  0.169676D+01  0.835576D+00  0.121764D+02
      5   0.131198D+01  0.942048D+01 -0.133973D+01 -0.354667D+01  0.158549D+02
      6   0.659396D+01 -0.327374D+01  0.598392D+01  0.389824D+00  0.143311D+00
                56            57            58            59            60 
      1   0.100254D+02  0.118634D+02  0.283666D+02 -0.354370D+01 -0.105916D+02
      2  -0.461482D+01 -0.549637D+01 -0.235736D+02 -0.409182D+01 -0.636289D+01
      3  -0.541054D+01 -0.636699D+01 -0.479301D+01  0.763552D+01  0.169545D+02
      4  -0.188525D+02 -0.749380D+01 -0.275023D+02 -0.422823D+02 -0.186963D+02
      5  -0.801459D+01 -0.139609D+02 -0.108687D+02 -0.177035D+02  0.209296D+02
      6  -0.329988D+01 -0.150258D+01 -0.126862D+02 -0.147571D+02 -0.698973D+01
                61            62            63            64            65 
      1   0.434576D+02 -0.117823D+02  0.465637D+01 -0.446680D+02 -0.248333D+02
      2  -0.118742D+02 -0.274606D+01  0.149394D+02  0.271109D+02  0.102392D+02
      3  -0.315834D+02  0.145284D+02 -0.195958D+02  0.175571D+02  0.145941D+02
      4  -0.112960D+02 -0.706492D+01  0.157830D+02 -0.270787D+02  0.147529D+02
      5  -0.218672D+02  0.157166D+02 -0.357028D+02 -0.639794D+02  0.585838D+01
      6  -0.129102D+01 -0.396499D+01  0.564247D+01  0.110480D+01  0.420910D+00
                66            67            68            69            70 
      1  -0.584281D+02 -0.469350D+02  0.110002D+02  0.573960D+01 -0.942223D+02
      2   0.283483D+02  0.290138D+02 -0.119791D+02 -0.565156D+01  0.458994D+02
      3   0.300798D+02  0.179212D+02  0.978866D+00 -0.880393D-01  0.483229D+02
      4   0.687336D+01  0.910904D+01  0.436634D+02  0.622259D+01  0.155302D+02
      5  -0.366472D+01  0.100650D+02  0.477108D+01 -0.305218D+02 -0.970233D+01
      6   0.115851D+01  0.166591D+01 -0.502444D+00  0.142208D+00 -0.407564D+01
                71            72            73            74            75 
      1   0.103814D+02 -0.166792D+02  0.741476D+01  0.282312D+02  0.397031D+02
      2  -0.708681D+01  0.118547D+02 -0.121509D+02 -0.968408D+01 -0.176264D+02
      3  -0.329463D+01  0.482450D+01  0.473616D+01 -0.185471D+02 -0.220767D+02
      4   0.129046D+02 -0.330511D+02  0.273930D+02 -0.264998D+02 -0.237351D+02
      5  -0.334901D+02  0.139430D+02  0.400487D+02 -0.148454D+02 -0.547347D+01
      6   0.201918D+01  0.260703D+01 -0.194643D+02  0.471657D+01 -0.365973D+00
                76            77            78            79            80 
      1   0.275817D+02 -0.159719D+02 -0.127774D+02  0.499753D+02 -0.220397D+02
      2  -0.120105D+02  0.200255D+02  0.827140D+01 -0.212773D+02  0.126123D+02
      3  -0.155712D+02 -0.405359D+01  0.450600D+01 -0.286980D+02  0.942736D+01
      4  -0.183707D+02 -0.179549D+02 -0.469606D+01 -0.303547D+02 -0.770508D+01
      5  -0.107729D+02 -0.489884D+01  0.294181D+02 -0.110832D+02  0.404573D+02
      6   0.395933D+01  0.576891D+01 -0.156057D+02  0.584559D+01 -0.181126D+02
                81            82            83            84            85 
      1   0.603013D+01  0.353659D+01  0.175706D+02  0.526391D+02  0.287952D+02
      2  -0.116410D+02  0.146735D+02 -0.126523D+02 -0.267524D+02 -0.239059D+02
      3   0.561085D+01 -0.182100D+02 -0.491825D+01 -0.258868D+02 -0.488930D+01
      4   0.409646D+02  0.195573D+02 -0.110115D+02 -0.552111D+01 -0.160917D+02
      5  -0.233794D+02  0.482836D+02 -0.111419D+02 -0.231207D+02 -0.235258D+02
      6   0.123519D+02 -0.335061D+01  0.238296D+01  0.311406D+01  0.345913D+01
                86            87            88            89            90 
      1  -0.116583D+02 -0.134909D+02  0.572860D+02 -0.836927D+01 -0.842175D+01
      2  -0.931741D+01  0.138587D+02 -0.311230D+02  0.108552D+02  0.492398D+01
      3   0.209757D+02 -0.367802D+00 -0.261629D+02 -0.248592D+01  0.349777D+01
      4  -0.621215D+02 -0.151754D+01 -0.105242D+02 -0.138095D+02  0.265894D+02
      5   0.238748D+01  0.303284D+02 -0.198280D+02  0.277103D+02 -0.266975D+01
      6   0.104267D+02  0.342570D+01  0.541435D+01  0.372836D+01 -0.941204D+01
                91            92            93            94            95 
      1  -0.394645D+01  0.107176D+02  0.198637D+02  0.616519D+01  0.607326D+01
      2   0.127940D+01 -0.532732D+01 -0.641730D+01  0.132012D+01  0.255974D+01
      3   0.266705D+01 -0.539029D+01 -0.134464D+02 -0.748532D+01 -0.863300D+01
      4   0.988978D+01 -0.541073D+01 -0.179528D+01 -0.134683D+02  0.127972D+02
      5   0.184266D+02 -0.152200D+01 -0.989832D+01 -0.132377D+02 -0.287837D+02
      6  -0.580786D+00 -0.576213D+01 -0.118574D+01 -0.156622D+02  0.397545D+01
                96            97            98            99           100 
      1   0.354715D+01  0.367839D+02  0.226374D+00 -0.130980D+02 -0.481237D+01
      2   0.519374D+01 -0.159029D+02 -0.388829D+00  0.769096D+01 -0.107691D+01
      3  -0.874089D+01 -0.208810D+02  0.162455D+00  0.540702D+01  0.588928D+01
      4  -0.281109D+02 -0.128095D+02 -0.216736D+02 -0.109056D+00 -0.159464D+02
      5  -0.110742D+02 -0.397518D+02 -0.142957D+00 -0.157204D+01  0.122969D+01
      6  -0.185496D+02 -0.519195D+01 -0.142226D+02 -0.609271D+01  0.149267D+01
               101           102           103           104           105 
      1  -0.114933D+02 -0.751102D+01 -0.367030D+02 -0.180904D+02  0.140067D+02
      2   0.584698D+01  0.285327D+01  0.239615D+02  0.215751D+01 -0.144788D+02
      3   0.564629D+01  0.465775D+01  0.127414D+02  0.159328D+02  0.472132D+00
      4  -0.172065D+02  0.432598D+01 -0.353371D+02 -0.179446D+02  0.212988D+02
      5   0.484223D+01  0.109082D+02  0.259664D+02  0.209260D+02 -0.209059D+02
      6   0.835334D+01 -0.985551D+00  0.103724D+02  0.354511D+01 -0.106372D+02
               106           107           108           109           110 
      1   0.844052D+01  0.780611D+01  0.192326D+02  0.488191D+02  0.264315D+02
      2   0.148316D+01 -0.411045D+01 -0.123525D+02 -0.223246D+02 -0.990922D+01
      3  -0.992368D+01 -0.369567D+01 -0.688018D+01 -0.264945D+02 -0.165223D+02
      4   0.941433D+01  0.318003D+02 -0.780274D+01  0.366676D+02  0.301010D+02
      5   0.210278D+02 -0.733069D+01 -0.807742D+01 -0.180772D+02 -0.730416D+01
      6  -0.422582D+00 -0.555190D+01  0.980499D+00 -0.715405D+01 -0.592983D+01
               111           112           113           114           115 
      1  -0.107802D+02  0.555262D+02  0.150396D+02 -0.793375D+01 -0.218424D+02
      2   0.605690D+01 -0.254237D+02  0.511168D+01  0.572977D+01  0.138981D+02
      3   0.472326D+01 -0.301025D+02 -0.201513D+02  0.220398D+01  0.794429D+01
      4  -0.504907D+01  0.444390D+02  0.684387D+02 -0.158504D+02 -0.121235D+02
      5   0.117778D+02 -0.239090D+02 -0.161753D+02  0.288758D+02  0.214482D+02
      6   0.391211D+01 -0.708682D+01 -0.170258D+02  0.145485D+02  0.376166D+01
               116           117           118           119           120 
      1  -0.211394D+01  0.187920D+01 -0.935790D+00 -0.113480D+02  0.156260D+02
      2   0.117986D+01 -0.680182D+01  0.999086D+01  0.132152D+01 -0.141544D+02
      3   0.934078D+00  0.492262D+01 -0.905507D+01  0.100265D+02 -0.147159D+01
      4  -0.235352D+02  0.201047D+02 -0.894294D+01  0.944856D+01 -0.892228D+01
      5   0.194163D+02 -0.218056D+02  0.238831D+02 -0.570019D+01 -0.244903D+02
      6   0.140563D+02 -0.101518D+02 -0.271655D+01  0.133934D+00  0.362177D+01
               121           122           123           124           125 
      1  -0.253575D+02  0.361030D+01 -0.648180D+01  0.262718D+02 -0.133910D+02
      2   0.676105D+01  0.134997D+02  0.428881D+01 -0.215325D+02  0.680411D+01
      3   0.185965D+02 -0.171100D+02  0.219299D+01 -0.473931D+01  0.658693D+01
      4   0.319527D+02 -0.468034D+02 -0.132099D+02 -0.113149D+02 -0.403793D+00
      5   0.515038D+01 -0.103700D+02 -0.855457D+01 -0.318544D+02  0.409978D+00
      6  -0.641167D+01  0.126377D+02  0.121453D+02  0.469160D+01  0.699230D+01
               126           127           128           129           130 
      1  -0.308968D+02  0.841159D-02  0.113458D+01 -0.290971D+01  0.372791D+01
      2   0.214237D+02 -0.971801D+00  0.431621D+00 -0.144008D+01 -0.270970D+01
      3   0.947313D+01  0.963389D+00 -0.156620D+01  0.434979D+01 -0.101821D+01
      4   0.146362D+01 -0.676294D+01  0.687203D+01 -0.464594D+01  0.770974D+01
      5   0.340060D+02  0.453405D+01 -0.427657D+01  0.543422D+01 -0.420082D+01
      6   0.345314D+00 -0.487755D+01  0.494178D+01 -0.436082D+01  0.626681D+01
               131           132           133           134           135 
      1  -0.159453D+02  0.128780D+02 -0.100186D+01  0.927012D+01 -0.110646D+02
      2   0.114294D+02 -0.401083D+01 -0.918656D+00 -0.475648D+01  0.136889D+01
      3   0.451588D+01 -0.886716D+01  0.192052D+01 -0.451364D+01  0.969568D+01
      4  -0.112249D+02  0.663721D+01 -0.713937D+01  0.885787D+01 -0.706467D+01
      5   0.477954D+01 -0.450570D+01  0.524052D+01 -0.504082D+01  0.742985D+01
      6  -0.169889D+02  0.142470D+02 -0.587109D+01  0.125393D+02 -0.127413D+02
               136           137           138           139           140 
      1   0.361307D+01 -0.208513D+01  0.182174D+00 -0.373416D+01 -0.123913D+02
      2   0.140284D+01  0.518702D+01 -0.632789D+00  0.648224D+01  0.171799D+02
      3  -0.501591D+01 -0.310189D+01  0.450616D+00 -0.274808D+01 -0.478860D+01
      4   0.873408D+01  0.826448D+01 -0.192039D+01  0.998233D+01  0.132277D+02
      5  -0.544651D+01 -0.340837D+01  0.346410D+01 -0.594209D+01 -0.722977D+01
      6  -0.204384D+01 -0.221827D+01  0.228904D+01 -0.493133D+01 -0.915162D+01
               141           142           143           144           145 
      1   0.468929D+01  0.155881D+01  0.566273D+01 -0.322770D+01 -0.324403D+01
      2  -0.356156D+01 -0.206916D+01 -0.602800D+01  0.204314D+01  0.359258D+01
      3  -0.112773D+01  0.510349D+00  0.365262D+00  0.118456D+01 -0.348547D+00
      4  -0.366386D+01 -0.298494D+01 -0.302902D+01  0.264358D+01 -0.820923D+01
      5   0.532043D+01  0.340198D+01  0.318416D+01 -0.272737D+01  0.487585D+01
      6   0.635498D+01  0.287958D+01  0.532892D+01 -0.366291D+01 -0.668438D+01
               146           147           148           149           150 
      1   0.448209D+01 -0.439372D+01  0.681192D+01 -0.235358D+02  0.150284D+02
      2  -0.464730D+01  0.218998D+01 -0.747902D+01  0.261468D+02 -0.116723D+02
      3   0.165209D+00  0.220374D+01  0.667103D+00 -0.261101D+01 -0.335609D+01
      4   0.935083D+01 -0.622351D+01  0.875633D+01 -0.130502D+02  0.696805D+01
      5  -0.423550D+01  0.512782D+01 -0.389846D+01  0.353660D+01 -0.359057D+01
      6   0.679203D+01 -0.614260D+01  0.739358D+01 -0.205533D+02  0.158358D+02
               151           152           153           154           155 
      1  -0.498567D+01  0.150307D+02 -0.118793D+02  0.173465D+01 -0.361992D+01
      2   0.515003D+01 -0.145742D+02  0.744579D+01  0.753906D+01  0.127995D+02
      3  -0.164358D+00 -0.456415D+00  0.443350D+01 -0.927370D+01 -0.917954D+01
      4  -0.682065D+01  0.996939D+01 -0.695011D+01  0.154581D+02  0.160378D+02
      5   0.393173D+01 -0.385158D+01  0.472718D+01 -0.524862D+01 -0.384796D+01
      6  -0.610511D+01  0.143485D+02 -0.128603D+02 -0.154919D+01 -0.958822D+00
               156           157           158           159           160 
      1  -0.927834D+00 -0.229461D+01 -0.168622D+02  0.358022D+01  0.465681D+01
      2  -0.990041D+00  0.125870D+02  0.322558D+02 -0.561973D+01 -0.468054D+01
      3   0.191787D+01 -0.102924D+02 -0.153936D+02  0.203951D+01  0.237293D-01
      4  -0.290664D+01  0.175369D+02  0.246958D+02 -0.552712D+01 -0.309224D+01
      5   0.341966D+01 -0.693848D+01 -0.758215D+01  0.509416D+01  0.181697D+01
      6   0.247902D+01 -0.429973D+01 -0.809574D+01  0.615324D+01  0.284262D+01
               161           162           163           164           165 
      1   0.722158D+01 -0.305507D+01  0.148338D+02  0.766729D+01  0.565308D+00
      2  -0.104620D+02  0.349143D+01 -0.364153D+01 -0.240627D+01 -0.871226D+00
      3   0.324043D+01 -0.436358D+00 -0.111923D+02 -0.526102D+01  0.305918D+00
      4  -0.493902D+01  0.375350D+01  0.160854D+02  0.190912D+02  0.743841D+01
      5   0.398814D+01 -0.225293D+01  0.537501D+01  0.841736D+01  0.890411D+01
      6   0.515438D+01 -0.320246D+01  0.589527D+01  0.485256D+01  0.293055D+01
               166           167           168           169           170 
      1   0.137596D+02 -0.704338D+01 -0.250201D+01 -0.790821D+01 -0.126834D+01
      2  -0.171448D+01  0.176707D+02  0.299609D+01  0.267286D+01  0.452193D+00
      3  -0.120451D+02 -0.106273D+02 -0.494073D+00  0.523535D+01  0.816143D+00
      4   0.272639D+02  0.518541D+02  0.194959D+02  0.554377D+01  0.684117D+01
      5   0.142299D+02  0.188685D+02  0.130121D+02  0.766602D+01  0.754688D+01
      6   0.106809D+02  0.232684D+02  0.135790D+02  0.341115D+01  0.900282D+01
               171           172           173           174           175 
      1  -0.233730D+01  0.677920D+01 -0.368762D+01  0.581393D+01 -0.137368D+02
      2  -0.762484D+00 -0.833134D+01  0.230197D+01 -0.517223D+01  0.112615D+02
      3   0.309979D+01  0.155213D+01  0.138565D+01 -0.641694D+00  0.247534D+01
      4   0.811353D+01 -0.508386D+01  0.499527D+01 -0.667445D+00  0.679346D+01
      5   0.100401D+02  0.980800D+01 -0.165945D+01  0.152840D+02 -0.827289D+01
      6   0.582556D+01 -0.211224D+01  0.107964D+01 -0.330494D-01  0.301843D+01
               176           177           178           179           180 
      1  -0.149510D+01  0.575446D+01  0.481943D+01  0.259389D+01 -0.173646D+02
      2  -0.175088D+01  0.693344D+01 -0.121116D+02  0.346967D+01 -0.243690D+02
      3   0.324598D+01 -0.126879D+02  0.729212D+01 -0.606356D+01  0.417336D+02
      4  -0.335747D+01  0.971516D+01 -0.141002D+01  0.722739D+01 -0.802016D+01
      5   0.100334D+02 -0.206342D+02  0.240669D+02 -0.795152D+01  0.551148D+02
      6  -0.313757D+01  0.715455D+01 -0.109458D+01  0.606822D+01 -0.234017D+01
               181           182           183           184           185 
      1   0.123032D+03  0.121892D+02  0.390131D+02  0.179229D+02  0.133412D+02
      2  -0.657972D+02 -0.759984D+01 -0.215739D+02 -0.910087D+01 -0.516938D+01
      3  -0.572352D+02 -0.458938D+01 -0.174393D+02 -0.882203D+01 -0.817185D+01
      4   0.106809D+02  0.139283D+02  0.175923D+01  0.199872D+02  0.689879D+00
      5   0.447745D+02  0.254819D+01  0.276827D+02  0.294597D+01  0.660168D+01
      6   0.132002D+01  0.104860D+01  0.898246D+00  0.334286D+01  0.125844D+01
               186           187           188           189           190 
      1   0.278501D+01  0.489911D+02  0.175770D+01  0.262429D+02  0.583959D+00
      2  -0.121959D+01 -0.290927D+02 -0.154416D+01 -0.188000D+02  0.968602D+00
      3  -0.156541D+01 -0.198984D+02 -0.213533D+00 -0.744289D+01 -0.155256D+01
      4   0.660450D+01  0.609619D+00  0.547869D+01  0.603378D+01 -0.889314D+01
      5   0.682307D+01  0.349593D+02  0.675607D+01  0.240763D+02  0.407299D+01
      6   0.327385D+01  0.865335D+00  0.230794D+01  0.872349D+00 -0.202163D+01
               191           192           193           194           195 
      1  -0.939468D+01  0.420604D+01 -0.619049D+01 -0.835485D+01  0.764715D+01
      2   0.461468D+01 -0.275730D+01  0.125916D+01  0.149016D+02 -0.104067D+02
      3   0.478000D+01 -0.144874D+01  0.493133D+01 -0.654677D+01  0.275960D+01
      4   0.705171D+01 -0.219002D+01  0.100343D+02 -0.232322D+02  0.168349D+02
      5  -0.144508D+01  0.552798D+01 -0.282512D+01  0.171281D+02 -0.186846D+02
      6  -0.295113D+00 -0.376849D+00  0.136419D+01 -0.134328D+02  0.157399D+02
               196           197           198           199           200 
      1   0.707221D+01  0.975222D+01 -0.114771D+02 -0.392629D+02 -0.116371D+02
      2  -0.236038D+01 -0.134991D+02  0.612521D+01  0.211313D+02  0.115999D+02
      3  -0.471183D+01  0.374689D+01  0.535187D+01  0.181316D+02  0.371705D-01
      4  -0.866843D+01  0.298678D+02 -0.273546D+02  0.113977D+02 -0.791993D+01
      5   0.853665D+01 -0.273382D+02  0.426012D+02 -0.797040D+01 -0.131522D+01
      6  -0.362591D+01  0.186072D+02 -0.255654D+02  0.786061D+01  0.347319D+01
               201           202           203           204           205 
      1  -0.159266D+02 -0.836344D+01 -0.855623D+01 -0.255772D+01 -0.187698D+02
      2   0.796945D+01  0.678831D+01  0.797661D+01  0.306290D+01  0.890501D+01
      3   0.795719D+01  0.157513D+01  0.579615D+00 -0.505176D+00  0.986480D+01
      4   0.333889D+01  0.171315D+01 -0.279658D+01 -0.140636D+00  0.580643D+01
      5  -0.692538D+01 -0.224891D+00 -0.137011D+01 -0.422491D+01 -0.267569D+01
      6   0.695714D+01  0.237975D+01  0.209556D+01  0.505971D+01  0.401503D+01
               206           207           208           209           210 
      1  -0.510125D+01 -0.132758D+02  0.546543D+02 -0.254064D+02 -0.205799D+02
      2   0.498387D+01  0.675761D+01 -0.191876D+02  0.279858D+01  0.891272D+01
      3   0.117371D+00  0.651823D+01 -0.354667D+02  0.226079D+02  0.116672D+02
      4  -0.507807D+01 -0.444747D+01 -0.491965D+02  0.393497D+02  0.183435D+02
      5  -0.750690D+01 -0.539440D+01 -0.275537D+02  0.140019D+02  0.200295D+02
      6   0.684888D+01  0.491274D+01  0.117748D+02 -0.715323D+01 -0.864889D+01
               211           212           213           214           215 
      1  -0.175615D+02  0.141762D+02  0.540245D+01 -0.267095D+02  0.112941D+02
      2   0.383570D-01  0.312764D+01  0.898328D+00  0.104340D+02  0.478476D-01
      3   0.175232D+02 -0.173038D+02 -0.630078D+01  0.162755D+02 -0.113420D+02
      4   0.329239D+02 -0.302205D+02 -0.129058D+02  0.278424D+02 -0.242159D+02
      5   0.111864D+02 -0.114453D+02 -0.109983D+02  0.247979D+02 -0.189911D+02
      6  -0.690941D+01  0.749727D+01  0.825746D+01 -0.108273D+02  0.110922D+02
               216           217           218           219           220 
      1   0.126131D+02 -0.423619D+02 -0.337401D+01 -0.209481D+02 -0.516814D+01
      2  -0.515073D+01  0.148813D+02  0.139119D+01  0.201048D+01  0.310902D+01
      3  -0.746235D+01  0.274806D+02  0.198282D+01  0.189376D+02  0.205912D+01
      4  -0.217089D+02 -0.777836D+01 -0.508868D+01  0.452187D+00  0.399858D+00
      5  -0.197055D+02  0.200344D+01  0.262978D+01 -0.100831D+02  0.121722D+01
      6   0.922861D+01  0.811530D+00  0.324975D+01 -0.143450D+01  0.150062D+01
               221           222           223           224           225 
      1  -0.461719D+01 -0.187000D+01 -0.218556D+02  0.116993D+00 -0.171603D+02
      2   0.369500D+01 -0.125960D+01  0.604285D+01 -0.129317D+01 -0.182202D+01
      3   0.922196D+00  0.312960D+01  0.158127D+02  0.117618D+01  0.189823D+02
      4   0.510145D+01 -0.265760D+01 -0.182126D+01 -0.288176D+01 -0.230044D+01
      5  -0.209808D+01 -0.539607D+01  0.133488D+01 -0.790835D+00 -0.126899D+02
      6  -0.821191D+00  0.311338D+01 -0.106320D+01  0.256681D+01 -0.110256D+01
               226           227           228           229           230 
      1   0.965464D+01  0.108108D+02 -0.606237D+01  0.145858D+02  0.277722D+01
      2  -0.338186D+01 -0.218555D+01  0.365870D+01 -0.224775D+01  0.213471D+02
      3  -0.627278D+01 -0.862525D+01  0.240367D+01 -0.123381D+02 -0.241243D+02
      4   0.138079D+02  0.178063D+02 -0.986918D+00  0.261410D+02  0.773244D+02
      5  -0.741496D+01 -0.208205D+01  0.589023D+01 -0.696462D+01 -0.105972D+02
      6  -0.185084D+01 -0.267524D+01  0.840126D+00 -0.558648D+01 -0.189331D+02
               231           232           233           234           235 
      1   0.707333D+00 -0.927251D+00  0.308885D+01 -0.451307D+00  0.668869D+02
      2   0.120724D+01  0.163407D+01  0.484280D+00  0.869070D+00 -0.453826D+02
      3  -0.191457D+01 -0.706819D+00 -0.357313D+01 -0.417763D+00 -0.215043D+02
      4  -0.868032D+01  0.187558D+01  0.559657D+01  0.533996D+01 -0.672431D+01
      5   0.111440D+02  0.471136D+01  0.516592D+01  0.766359D-01 -0.562530D+02
      6   0.730559D+01  0.898134D+00  0.579990D+01 -0.743844D+00  0.222799D+01
               236           237           238           239           240 
      1  -0.915711D+01 -0.359886D+02 -0.225632D+02  0.105460D+02  0.112353D+02
      2   0.671506D+01  0.284223D+02  0.157962D+02 -0.523156D+01 -0.107616D+02
      3   0.244205D+01  0.756626D+01  0.676697D+01 -0.531445D+01 -0.473726D+00
      4   0.135707D+02  0.314394D+01  0.147826D+02 -0.477293D+01 -0.819098D+01
      5   0.680808D+01  0.423413D+02  0.206651D+02 -0.102521D+02 -0.210927D+02
      6  -0.498599D+01 -0.867689D+00 -0.560735D+01  0.295355D+01  0.444931D+01
               241           242           243           244           245 
      1  -0.337320D+02  0.352552D+01  0.227036D+02  0.207673D+01 -0.706633D+01
      2   0.284439D+02 -0.447752D+01 -0.262163D+02 -0.473079D+00  0.352891D+01
      3   0.528810D+01  0.952002D+00  0.351276D+01 -0.160365D+01  0.353742D+01
      4   0.335850D+01 -0.578153D+01 -0.589293D+01 -0.111775D+02  0.915222D+01
      5   0.446215D+02 -0.824454D+01 -0.435047D+02  0.574364D+01 -0.482594D+01
      6  -0.159359D+01  0.385639D+01  0.167413D+01 -0.634128D+01  0.302677D+01
               246           247           248           249           250 
      1   0.863946D+00 -0.920612D+01 -0.502126D+01  0.451625D+01 -0.549277D+00
      2  -0.114394D+01  0.355409D+01  0.718162D+01 -0.116239D+01 -0.160301D+01
      3   0.279994D+00  0.565203D+01 -0.216035D+01 -0.335386D+01  0.215229D+01
      4  -0.440606D+01  0.130822D+02 -0.285865D+02  0.137707D+02 -0.533220D+01
      5   0.797379D+01 -0.679753D+01  0.140263D+02 -0.132646D+02  0.118204D+02
      6  -0.190211D+01  0.539314D+01 -0.162077D+02  0.104426D+02 -0.360442D+01
               251           252           253           254           255 
      1   0.206748D+01 -0.311540D+01 -0.317858D+02 -0.131487D+02 -0.480485D+02
      2   0.135944D+01 -0.356012D+01  0.371246D+02  0.119687D+02  0.156681D+02
      3  -0.342691D+01  0.667552D+01 -0.533885D+01  0.118008D+01  0.323804D+02
      4   0.134888D+02 -0.101720D+02 -0.203916D+02  0.270101D+01 -0.133256D+02
      5  -0.978433D+01  0.154678D+02 -0.610444D+02 -0.913558D+01 -0.161513D+02
      6   0.109208D+02 -0.820260D+01 -0.128061D+02  0.112464D+01 -0.269138D+00
               256           257           258           259           260 
      1  -0.214582D+01  0.248625D+01 -0.156156D+02 -0.395904D+02 -0.132893D+02
      2   0.343025D+01 -0.201389D+02  0.977695D+01  0.110438D+02  0.152409D+02
      3  -0.128442D+01  0.176526D+02  0.583863D+01  0.285466D+02 -0.195154D+01
      4   0.124537D+02 -0.642488D+01  0.198697D+02 -0.543151D+01  0.185524D+02
      5   0.286928D+01  0.240166D+02  0.118215D+02 -0.259792D+01  0.380835D+01
      6   0.111274D+02  0.482083D+01  0.185892D+02  0.649405D+01  0.141266D+02
               261           262           263           264           265 
      1   0.106967D+02  0.406102D+02 -0.108296D+02 -0.261888D+02  0.461506D+01
      2   0.504926D+01 -0.263809D+02  0.610915D+01  0.187050D+02 -0.578577D+01
      3  -0.157459D+02 -0.142293D+02  0.472044D+01  0.748387D+01  0.117070D+01
      4   0.933395D+01 -0.196136D+02  0.125732D+02  0.126257D+02  0.635204D+01
      5   0.310634D+01 -0.377828D+02  0.111039D+02  0.324674D+02 -0.495840D+01
      6   0.412058D+01  0.684694D+01 -0.334000D+01 -0.582977D+01 -0.223660D+01
               266           267           268           269           270 
      1   0.214119D+01 -0.444124D+01 -0.319666D+02  0.831183D+01  0.241176D+02
      2  -0.624563D+00  0.536868D+01  0.258071D+02 -0.587309D+01 -0.261156D+02
      3  -0.151662D+01 -0.927441D+00  0.615949D+01 -0.243874D+01  0.199800D+01
      4  -0.681155D+01 -0.488276D+01  0.187437D+02 -0.153335D+02 -0.186681D+02
      5  -0.498339D+01  0.453893D+01  0.474307D+02 -0.163779D+02 -0.537322D+02
      6   0.254810D+01  0.323104D+01 -0.840946D+01  0.646514D+01  0.110575D+02
               271           272           273           274           275 
      1   0.101196D+01  0.751479D+01  0.394160D+01  0.773390D+01 -0.171598D+02
      2   0.115085D+01 -0.676758D+01 -0.802251D-01 -0.471337D+01  0.351836D+02
      3  -0.216281D+01 -0.747212D+00 -0.386137D+01 -0.302053D+01 -0.180238D+02
      4   0.412234D+01  0.549195D+00  0.797103D+00  0.596478D+01  0.290757D+02
      5   0.268509D+01  0.272283D+01  0.107694D+01  0.535457D+01 -0.552163D+01
      6   0.172273D+01 -0.208432D+01 -0.131918D+01  0.595972D+00  0.142386D+02
               276           277           278           279           280 
      1  -0.157949D+00 -0.140995D+01  0.485705D+01 -0.260035D+01  0.684661D+02
      2  -0.692866D+01  0.215288D+01 -0.107724D+02  0.457142D+01 -0.491365D+02
      3   0.708661D+01 -0.742930D+00  0.591532D+01 -0.197107D+01 -0.193296D+02
      4  -0.227066D+01 -0.170628D+01 -0.106252D+02  0.116613D+01  0.289662D+02
      5   0.824495D+01 -0.140722D+01  0.261954D+01 -0.716796D+01  0.674942D+02
      6   0.353009D+01 -0.137489D+01 -0.196022D+01 -0.240757D+01  0.134350D+02
               281           282           283           284           285 
      1   0.768636D+01  0.240160D+02  0.878980D+00  0.514958D+01  0.138577D+01
      2  -0.439600D+01 -0.241839D+02  0.150055D+01 -0.783968D+00  0.843546D-01
      3  -0.329036D+01  0.167907D+00 -0.237953D+01 -0.436561D+01 -0.147013D+01
      4   0.156432D+02  0.144465D+02  0.123728D+02  0.655556D+01  0.489404D+01
      5   0.131372D+02  0.413204D+02  0.264282D+01  0.614347D+01  0.792285D+00
      6   0.919089D+01  0.100253D+02  0.660806D+01  0.316926D+01  0.384542D+01
               286           287           288           289           290 
      1   0.175008D+02  0.211042D+01  0.816515D+01 -0.144216D+02  0.540268D+01
      2  -0.189812D+02 -0.296250D+01 -0.164252D+02 -0.202114D+01 -0.287530D+01
      3   0.148042D+01  0.852073D+00  0.826006D+01  0.164428D+02 -0.252738D+01
      4   0.102801D+02  0.474297D+01  0.684046D+01 -0.287014D+01 -0.262073D+01
      5   0.341480D+02  0.659804D+01  0.283427D+02  0.143112D+01 -0.114087D+01
      6   0.704240D+01  0.434452D+01  0.727592D+01  0.370503D+01 -0.561247D+01
               291           292           293           294           295 
      1   0.273032D+02 -0.158090D+01 -0.569394D+01  0.276373D+01  0.184455D+02
      2   0.210039D+01  0.141708D+00  0.251817D+01  0.232661D+01 -0.134826D+01
      3  -0.294036D+02  0.143919D+01  0.317577D+01 -0.509034D+01 -0.170973D+02
      4   0.281989D+01 -0.590084D+00 -0.329310D+00  0.299041D+00  0.473398D+01
      5  -0.297405D+01 -0.548285D+00 -0.178032D+01 -0.437175D+01  0.461875D+01
      6  -0.748388D+01 -0.320183D+01  0.803059D+00  0.474304D+01 -0.302245D+01
               296           297 
      1  -0.374031D+01 -0.354622D+02
      2   0.548367D-01 -0.122238D+02
      3   0.368547D+01  0.476860D+02
      4   0.173465D+01 -0.228187D+01
      5   0.222849D+01  0.168016D+02
      6   0.656573D+01  0.117549D+02
 Leave Link  716 at Wed Sep  8 15:53:57 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219986D+03  0.628452D+01  0.780026D+01
      2   0.628452D+01  0.156450D+03 -0.858372D+01
      3   0.780026D+01 -0.858372D+01  0.141609D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.761554D+01  0.415360D+01 -0.976290D-01
      2  -0.119868D+02  0.107905D+02 -0.502672D+02
      3  -0.372707D+02  0.515403D+02 -0.196651D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.194989D+03  0.209288D+02 -0.468684D+02
      2   0.837654D+02 -0.232631D+02 -0.111946D+01
      3   0.111224D+03  0.233439D+01  0.479879D+02
      4   0.290978D+02 -0.111867D+03  0.308113D+02
      5   0.122652D+02  0.335754D+02 -0.956059D+02
      6   0.812145D+01  0.239360D+02  0.269829D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112402D+02  0.172917D+01  0.280524D+01  0.138603D+02 -0.189659D+00
      2   0.172917D+01 -0.229379D+01 -0.199581D-02 -0.189659D+00  0.225546D+01
      3   0.280524D+01 -0.199581D-02  0.399823D+00  0.145080D+01  0.991787D+00
                 6             7             8             9            10 
      1   0.145080D+01 -0.715397D+00 -0.200628D+01  0.153127D+00 -0.332178D+02
      2   0.991787D+00 -0.200628D+01  0.851259D+00  0.651338D+00 -0.177029D+00
      3  -0.504968D+00  0.153127D+00  0.651338D+00 -0.425744D+01 -0.414452D+01
                11            12            13            14            15 
      1  -0.177029D+00 -0.414452D+01  0.437052D+00 -0.163508D+01 -0.164985D+01
      2  -0.268648D+01  0.851382D+00 -0.163508D+01 -0.163199D+01 -0.322927D+00
      3   0.851382D+00 -0.205479D+01 -0.164985D+01 -0.322927D+00 -0.124095D+01
                16            17            18            19            20 
      1  -0.877040D+01 -0.168696D+01 -0.456731D+01 -0.867933D+01 -0.804435D+00
      2  -0.168696D+01 -0.103581D+01 -0.618116D+00 -0.804435D+00  0.113811D+01
      3  -0.456731D+01 -0.618116D+00 -0.318148D+01 -0.307609D+01 -0.152606D+01
                21            22            23            24            25 
      1  -0.307609D+01  0.112253D+02  0.549552D+00  0.312265D+01 -0.116760D+02
      2  -0.152606D+01  0.549552D+00  0.299046D+01  0.128120D+01 -0.109124D+01
      3   0.251834D+01  0.312265D+01  0.128120D+01  0.932162D+00 -0.102861D+01
                26            27            28            29            30 
      1  -0.109124D+01 -0.102861D+01  0.295215D+02  0.208369D+01  0.537851D+01
      2   0.201323D+01  0.814789D+00  0.208369D+01  0.248623D+01 -0.284342D-01
      3   0.814789D+00 -0.203317D+01  0.537851D+01 -0.284342D-01  0.297099D+01
                31            32            33            34            35 
      1   0.194092D+01  0.144362D+01  0.188132D+01  0.641810D+01  0.235329D+01
      2   0.144362D+01 -0.490690D+00  0.761750D+00  0.235329D+01  0.208987D+01
      3   0.188132D+01  0.761750D+00  0.225636D+01  0.577316D+01  0.771547D+00
                36            37            38            39            40 
      1   0.577316D+01 -0.127781D+02 -0.158599D+01 -0.364192D+01 -0.155632D+02
      2   0.771547D+00 -0.158599D+01  0.395109D+01 -0.429585D-01 -0.127978D+01
      3   0.248582D+01 -0.364192D+01 -0.429585D-01 -0.653609D+00 -0.139060D+01
                41            42            43            44            45 
      1  -0.127978D+01 -0.139060D+01 -0.802816D-01  0.198204D+01  0.415370D+00
      2  -0.175653D+01 -0.157782D+01  0.198204D+01 -0.817702D+00 -0.956413D+00
      3  -0.157782D+01 -0.171959D+00  0.415370D+00 -0.956413D+00  0.446622D+01
                46            47            48            49            50 
      1   0.102504D+02  0.673096D+00  0.327836D+01 -0.100488D+02  0.100272D+01
      2   0.673096D+00 -0.213245D+01  0.167642D+01  0.100272D+01 -0.237106D+01
      3   0.327836D+01  0.167642D+01 -0.212141D+01 -0.296536D+01 -0.129754D+01
                51            52            53            54            55 
      1  -0.296536D+01  0.131112D+02  0.506083D+00  0.859020D-01  0.205548D+02
      2  -0.129754D+01  0.506083D+00 -0.354731D+01 -0.121463D+01 -0.170280D+01
      3  -0.118761D+01  0.859020D-01 -0.121463D+01  0.151220D+01 -0.841203D+00
                56            57            58            59            60 
      1  -0.170280D+01 -0.841203D+00 -0.510293D+01  0.378972D+01  0.142373D+01
      2   0.221603D+01  0.106396D+01  0.378972D+01  0.524684D+01  0.241693D+01
      3   0.106396D+01  0.179226D+01  0.142373D+01  0.241693D+01 -0.307026D+01
                61            62            63            64            65 
      1  -0.568096D+01  0.168696D+01  0.377773D+01 -0.227462D+01  0.332395D+01
      2   0.168696D+01  0.796751D+00 -0.227891D+01  0.332395D+01 -0.154172D+01
      3   0.377773D+01 -0.227891D+01  0.505353D+01  0.608318D+01 -0.885710D+00
                66            67            68            69            70 
      1   0.608318D+01  0.891545D+01 -0.133520D+01 -0.110009D+01  0.157439D+02
      2  -0.885710D+00 -0.133520D+01 -0.545714D+01 -0.852094D+00 -0.197162D+01
      3   0.192415D+00 -0.110009D+01 -0.852094D+00  0.385778D+01  0.692006D+00
                71            72            73            74            75 
      1  -0.197162D+01  0.692006D+00  0.584282D+00 -0.341876D+01 -0.487261D+01
      2  -0.127746D+01  0.403083D+01 -0.341876D+01  0.203839D+01  0.138535D+01
      3   0.403083D+01 -0.181878D+01 -0.487261D+01  0.138535D+01  0.260713D+00
                76            77            78            79            80 
      1  -0.373917D+01  0.103837D+01  0.929680D+00 -0.682994D+01  0.185190D+01
      2   0.103837D+01  0.323593D+01  0.971290D+00  0.185190D+01  0.151740D+01
      3   0.929680D+00  0.971290D+00 -0.360332D+01  0.838184D+00 -0.490776D+01
                81            82            83            84            85 
      1   0.838184D+00  0.876526D+00 -0.215299D+01 -0.549561D+01 -0.381086D+01
      2  -0.490776D+01 -0.215299D+01  0.141172D+01  0.855160D+00  0.191450D+01
      3   0.287397D+01 -0.549561D+01  0.855160D+00  0.103305D+01  0.199817D+01
                86            87            88            89            90 
      1   0.191450D+01  0.199817D+01 -0.674958D+01  0.157968D+01  0.411406D+00
      2   0.686337D+01  0.134893D+00  0.157968D+01  0.157196D+01 -0.318256D+01
      3   0.134893D+00 -0.340203D+01  0.411406D+00 -0.318256D+01  0.790869D+00
                91            92            93            94            95 
      1  -0.700679D+01  0.823599D+00  0.621038D+00 -0.211806D+01 -0.256429D+01
      2   0.823599D+00 -0.135570D+01 -0.763255D+00 -0.256429D+01  0.159538D+01
      3   0.621038D+00 -0.763255D+00 -0.263999D+01 -0.253864D+01 -0.454074D+01
                96            97            98            99           100 
      1  -0.253864D+01  0.531852D+01 -0.177695D+01 -0.602796D+01 -0.225227D+01
      2  -0.454074D+01 -0.177695D+01 -0.342318D+01 -0.569025D+00 -0.229651D+01
      3  -0.274559D+01 -0.602796D+01 -0.569025D+00 -0.645162D+00 -0.461044D+00
               101           102           103           104           105 
      1  -0.229651D+01 -0.461044D+00 -0.606875D+01 -0.247977D+01  0.281141D+01
      2  -0.108454D+01  0.420156D+00 -0.247977D+01 -0.220393D+01  0.273206D+01
      3   0.420156D+00  0.205864D+01  0.281141D+01  0.273206D+01 -0.182275D+01
               106           107           108           109           110 
      1  -0.213975D+00  0.122720D+01  0.253146D+01  0.570623D+01  0.385016D+01
      2   0.122720D+01  0.213465D+01 -0.710766D+00  0.385016D+01  0.227052D+01
      3   0.253146D+01 -0.710766D+00 -0.253679D+01 -0.152760D+01 -0.478957D+00
               111           112           113           114           115 
      1  -0.152760D+01  0.112639D+02  0.429362D+01 -0.207175D+01 -0.487624D+01
      2  -0.478957D+00  0.429362D+01  0.786578D+01 -0.179963D+01 -0.126868D+01
      3   0.412013D+00 -0.207175D+01 -0.179963D+01  0.325283D+01  0.164768D+01
               116           117           118           119           120 
      1  -0.126868D+01  0.164768D+01 -0.951985D+00 -0.878626D+00  0.250744D+01
      2  -0.221143D+01  0.228397D+01 -0.878626D+00 -0.452543D-01 -0.840574D+00
      3   0.228397D+01 -0.209936D+01  0.250744D+01 -0.840574D+00 -0.338550D+01
               121           122           123           124           125 
      1  -0.565424D+01  0.205835D+01  0.128969D+00  0.306623D+01 -0.129567D+01
      2   0.205835D+01 -0.501837D+01 -0.165211D+01 -0.129567D+01  0.323248D+00
      3   0.128969D+00 -0.165211D+01 -0.846344D+00 -0.372664D+01 -0.194514D+00
               126           127           128           129           130 
      1  -0.372664D+01 -0.169942D+01  0.134719D+01 -0.122857D+01  0.141404D+01
      2  -0.194514D+00  0.134719D+01 -0.946493D+00  0.974619D+00 -0.156836D+01
      3   0.394668D+01 -0.122857D+01  0.974619D+00 -0.119520D+01  0.118183D+01
               131           132           133           134           135 
      1  -0.156836D+01  0.118183D+01 -0.179589D+01  0.170146D+01 -0.132866D+01
      2   0.409195D+01 -0.286559D+01  0.170146D+01 -0.283244D+01  0.227029D+01
      3  -0.286559D+01  0.283364D+01 -0.132866D+01  0.227029D+01 -0.245668D+01
               136           137           138           139           140 
      1   0.352627D+01  0.206556D+01 -0.409250D+00  0.253460D+01  0.264248D+01
      2   0.206556D+01  0.205573D+01 -0.399837D+00  0.264248D+01  0.443660D+01
      3  -0.409250D+00 -0.399837D+00  0.499127D+00 -0.100798D+01 -0.148527D+01
               141           142           143           144           145 
      1  -0.100798D+01 -0.720567D+00 -0.815856D+00  0.467220D+00  0.180314D+01
      2  -0.148527D+01 -0.815856D+00 -0.191686D+01  0.782143D+00 -0.151443D+01
      3   0.116005D+01  0.467220D+00  0.782143D+00 -0.703955D+00  0.149523D+01
               146           147           148           149           150 
      1  -0.151443D+01  0.149523D+01 -0.141230D+01  0.182375D+01 -0.128378D+01
      2   0.140412D+01 -0.120426D+01  0.182375D+01 -0.530087D+01  0.309307D+01
      3  -0.120426D+01  0.130925D+01 -0.128378D+01  0.309307D+01 -0.272965D+01
               151           152           153           154           155 
      1   0.137570D+01 -0.166270D+01  0.119943D+01 -0.323999D+01 -0.248349D+01
      2  -0.166270D+01  0.333986D+01 -0.225849D+01 -0.248349D+01 -0.285183D+01
      3   0.119943D+01 -0.225849D+01  0.195021D+01  0.525968D+00  0.407130D+00
               156           157           158           159           160 
      1   0.525968D+00 -0.297993D+01 -0.334314D+01  0.101843D+01  0.657943D+00
      2   0.407130D+00 -0.334314D+01 -0.600589D+01  0.148178D+01  0.679845D+00
      3  -0.255603D+00  0.101843D+01  0.148178D+01 -0.995438D+00 -0.373217D+00
               161           162           163           164           165 
      1   0.679845D+00 -0.373217D+00 -0.309619D+01 -0.169628D+01 -0.423230D+00
      2   0.198758D+01 -0.739119D+00 -0.169628D+01 -0.170985D+01 -0.785961D+00
      3  -0.739119D+00  0.447068D+00 -0.423230D+00 -0.785961D+00 -0.789655D+00
               166           167           168           169           170 
      1  -0.459866D+01 -0.285808D+01 -0.152014D+01  0.196565D+01 -0.637440D+00
      2  -0.285808D+01 -0.710282D+01 -0.267017D+01 -0.637440D+00 -0.100303D+01
      3  -0.152014D+01 -0.267017D+01 -0.176821D+01 -0.803732D+00 -0.111951D+01
               171           172           173           174           175 
      1  -0.803732D+00 -0.153608D+01  0.697264D+00 -0.118600D+01  0.417480D+01
      2  -0.111951D+01  0.697264D+00 -0.390342D+00  0.453548D-01 -0.944518D+00
      3  -0.143772D+01 -0.118600D+01  0.453548D-01 -0.106502D+01  0.101501D+01
               176           177           178           179           180 
      1  -0.944518D+00  0.101501D+01 -0.234602D+01  0.264941D+00 -0.262738D+01
      2   0.547300D+00 -0.149508D+01  0.264941D+00 -0.103056D+01  0.122879D+01
      3  -0.149508D+01  0.298454D+01 -0.262738D+01  0.122879D+01 -0.845372D+01
               181           182           183           184           185 
      1  -0.115475D+02 -0.112765D+01 -0.383977D+01 -0.235775D+01 -0.161493D+01
      2  -0.112765D+01 -0.113194D+01 -0.187537D+00 -0.161493D+01  0.721146D-01
      3  -0.383977D+01 -0.187537D+00 -0.229142D+01 -0.141090D+00 -0.540056D+00
               186           187           188           189           190 
      1  -0.141090D+00 -0.611131D+01  0.320285D-01 -0.287495D+01 -0.292990D+00
      2  -0.540056D+00  0.320285D-01 -0.641097D+00 -0.723536D+00  0.101500D+01
      3  -0.817260D+00 -0.287495D+01 -0.723536D+00 -0.219957D+01 -0.451851D+00
               191           192           193           194           195 
      1   0.101500D+01 -0.451851D+00  0.980871D+00 -0.635202D+00  0.213388D+00
      2  -0.299936D+00 -0.113175D-02 -0.635202D+00  0.302519D+01 -0.221318D+01
      3  -0.113175D-02 -0.257959D+00  0.213388D+00 -0.221318D+01  0.244770D+01
               196           197           198           199           200 
      1  -0.109937D+01  0.576815D+00 -0.525815D+00  0.584343D+01  0.226638D+00
      2   0.576815D+00 -0.376365D+01  0.341375D+01  0.226638D+00  0.193137D+01
      3  -0.525815D+00  0.341375D+01 -0.541939D+01  0.162315D+01  0.475861D+00
               201           202           203           204           205 
      1   0.162315D+01  0.597615D+00  0.772594D+00  0.220331D+00  0.221495D+01
      2   0.475861D+00  0.772594D+00  0.929203D+00  0.358371D+00  0.307813D+00
      3   0.143495D+01  0.220331D+00  0.358371D+00  0.752257D+00  0.933357D+00
               206           207           208           209           210 
      1   0.307813D+00  0.933357D+00 -0.635623D+01  0.378518D+01  0.265184D+01
      2   0.104245D+01  0.114736D+01  0.378518D+01 -0.328914D+01 -0.137819D+01
      3   0.114736D+01  0.129765D+01  0.265184D+01 -0.137819D+01 -0.180469D+01
               211           212           213           214           215 
      1   0.249861D+01 -0.268623D+01 -0.112012D+01  0.359555D+01 -0.216418D+01
      2  -0.268623D+01  0.266033D+01  0.115357D+01 -0.216418D+01  0.221939D+01
      3  -0.112012D+01  0.115357D+01  0.117533D+01 -0.233737D+01  0.204908D+01
               216           217           218           219           220 
      1  -0.233737D+01  0.591866D+01  0.470500D+00  0.130344D+01  0.566135D+00
      2   0.204908D+01  0.470500D+00  0.748638D+00 -0.134819D+00  0.204786D+00
      3   0.194866D+01  0.130344D+01 -0.134819D+00  0.243606D+01  0.884999D-01
               221           222           223           224           225 
      1   0.204786D+00  0.884999D-01  0.207547D+01 -0.524551D-01  0.119093D+01
      2  -0.455566D+00  0.475334D+00 -0.524551D-01  0.553305D+00  0.155689D+00
      3   0.475334D+00  0.770163D+00  0.119093D+01  0.155689D+00  0.267054D+01
               226           227           228           229           230 
      1  -0.115563D+01 -0.126648D+01  0.687147D+00 -0.198932D+01 -0.218041D+01
      2  -0.126648D+01 -0.148311D+01  0.594177D-01 -0.218041D+01 -0.865081D+01
      3   0.687147D+00  0.594177D-01 -0.414207D+00  0.439347D+00  0.953821D+00
               231           232           233           234           235 
      1   0.439347D+00  0.185593D+00 -0.153000D+00 -0.272895D+00 -0.707881D+01
      2   0.953821D+00 -0.153000D+00 -0.579096D+00 -0.593398D+00  0.931000D+00
      3  -0.126944D+01 -0.272895D+00 -0.593398D+00 -0.449797D-02  0.446417D+01
               236           237           238           239           240 
      1   0.931000D+00  0.446417D+01  0.271314D+01 -0.145330D+01 -0.170034D+01
      2  -0.121473D+01 -0.500830D+00 -0.145330D+01  0.415955D+00  0.856531D+00
      3  -0.500830D+00 -0.337562D+01 -0.170034D+01  0.856531D+00  0.201526D+01
               241           242           243           244           245 
      1   0.403839D+01 -0.592264D+00 -0.358153D+01 -0.281691D+00 -0.159502D+01
      2  -0.592264D+00  0.538325D+00  0.797778D+00 -0.159502D+01  0.857302D+00
      3  -0.358153D+01  0.797778D+00  0.386953D+01  0.392721D+00 -0.396017D+00
               246           247           248           249           250 
      1   0.392721D+00 -0.274614D+01  0.144327D+01 -0.799288D+00  0.666015D+00
      2  -0.396017D+00  0.144327D+01 -0.444432D+01  0.203260D+01 -0.542210D+00
      3   0.734073D+00 -0.799288D+00  0.203260D+01 -0.199506D+01  0.141887D+01
               251           252           253           254           255 
      1  -0.542210D+00  0.141887D+01 -0.806322D+01 -0.193297D+01 -0.680106D+01
      2   0.210276D+01 -0.146767D+01 -0.193297D+01  0.645330D+00 -0.511923D+00
      3  -0.146767D+01  0.249543D+01 -0.680106D+01 -0.511923D+00  0.119810D+01
               256           257           258           259           260 
      1   0.328113D+01  0.245980D+01  0.143516D+01 -0.307873D+01  0.679471D+00
      2   0.245980D+01 -0.124056D+01  0.389949D+01  0.679471D+00  0.377841D+01
      3   0.143516D+01  0.389949D+01  0.302982D+01  0.291209D+01  0.120519D+01
               261           262           263           264           265 
      1   0.291209D+01  0.494756D+01 -0.175244D+01 -0.353828D+01  0.534094D+00
      2   0.120519D+01 -0.175244D+01  0.133925D+01  0.111731D+01  0.617841D+00
      3  -0.766373D+00 -0.353828D+01  0.111731D+01  0.328036D+01 -0.468453D+00
               266           267           268           269           270 
      1   0.617841D+00 -0.468453D+00 -0.485370D+01  0.170942D+01  0.488669D+01
      2  -0.831253D+00 -0.528348D+00  0.170942D+01 -0.175915D+01 -0.183300D+01
      3  -0.528348D+00  0.369735D+00  0.488669D+01 -0.183300D+01 -0.594106D+01
               271           272           273           274           275 
      1   0.402431D+00  0.805737D+00  0.188911D+00  0.153251D+01  0.596671D-01
      2   0.805737D+00 -0.700991D+00 -0.254596D-01  0.596671D-01  0.589421D+01
      3   0.188911D+00 -0.254596D-01 -0.397393D+00  0.301922D+00 -0.498008D+00
               276           277           278           279           280 
      1   0.301922D+00 -0.848569D+00 -0.127374D+00 -0.526558D+00  0.120824D+02
      2  -0.498008D+00 -0.127374D+00 -0.202267D+01  0.364589D+00  0.233831D+01
      3   0.141418D+01 -0.526558D+00  0.364589D+00 -0.106684D+01  0.562572D+01
               281           282           283           284           285 
      1   0.233831D+01  0.562572D+01  0.300967D+00  0.110689D+01  0.163332D+00
      2   0.158601D+01  0.141408D+01  0.110689D+01  0.635254D+00  0.415989D+00
      3   0.141408D+01  0.374086D+01  0.163332D+00  0.415989D+00 -0.176996D+00
               286           287           288           289           290 
      1   0.388249D+01  0.803039D+00  0.292072D+01 -0.174921D+01  0.219839D+00
      2   0.803039D+00  0.319794D+00  0.725678D+00  0.219839D+00 -0.921528D+00
      3   0.292072D+01  0.725678D+00  0.298502D+01  0.230653D+01 -0.652297D+00
               291           292           293           294           295 
      1   0.230653D+01 -0.581296D+00 -0.453566D+00 -0.664969D-01  0.213124D+01
      2  -0.652297D+00 -0.453566D+00  0.200477D+00  0.328070D+00 -0.971105D-01
      3  -0.356895D+01 -0.664969D-01  0.328070D+00 -0.903964D+00 -0.165269D+01
               296           297 
      1  -0.971105D-01 -0.165269D+01
      2   0.681208D+00  0.674622D+00
      3   0.674622D+00  0.622863D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.154632D+01  0.351760D+01  0.702618D-01  0.592629D+01  0.732263D+00
      2   0.420850D+01 -0.448126D+01  0.458233D+01 -0.144153D+01 -0.551784D+01
      3  -0.162811D+02 -0.709551D+01  0.192543D+01 -0.271564D+01 -0.209933D+01
                 6             7             8             9            10 
      1  -0.238818D+01  0.546602D+01  0.277999D+01  0.136114D+01 -0.485523D+01
      2   0.183427D+01 -0.126832D+02 -0.327024D+01  0.103066D+01 -0.754438D+01
      3   0.831729D+00  0.567035D+01  0.941703D+00 -0.745181D+00  0.207106D+02
                11            12            13            14            15 
      1  -0.213895D+01  0.565278D+00 -0.104752D+02  0.522062D+01 -0.141525D+01
      2   0.135334D+01 -0.257454D+01  0.754655D+01  0.446488D+01 -0.194426D+01
      3   0.155793D+01  0.209960D+01  0.216701D+02  0.206443D+01  0.234503D+01
                16            17            18            19            20 
      1   0.343199D+01  0.658768D+01 -0.596782D+01 -0.336625D+00 -0.136105D+01
      2  -0.162962D+02 -0.197870D+01 -0.284409D+00  0.561280D+01 -0.446698D+00
      3  -0.814792D+00  0.140693D+01  0.856027D+00  0.888083D+01 -0.432107D+01
                21            22            23            24            25 
      1  -0.154630D+00 -0.159620D+01 -0.222913D+01 -0.290182D+01 -0.687224D+01
      2   0.144654D+01 -0.719158D+01  0.218384D+01 -0.899325D+00 -0.941539D+01
      3   0.336044D+01 -0.210273D+01  0.430849D+00 -0.191332D+01  0.114472D+02
                26            27            28            29            30 
      1   0.173241D+01 -0.411449D+01  0.243846D+01 -0.445369D+01  0.388703D+01
      2   0.158969D+01 -0.301147D+01  0.497289D+01  0.231780D+01  0.488507D+00
      3  -0.151633D+01  0.542908D+01 -0.169232D+02  0.597749D+00 -0.506125D+01
                31            32            33            34            35 
      1  -0.736731D+01  0.429150D+01 -0.829896D+00  0.852421D+01  0.696639D+01
      2   0.540144D+01  0.455047D+01  0.217970D+01 -0.125706D+02 -0.105732D+01
      3   0.242985D+02  0.416638D+01  0.230546D+01 -0.102336D+02  0.123775D+01
                36            37            38            39            40 
      1  -0.205878D+01 -0.342006D+01  0.111240D+01 -0.692767D+00  0.887969D+00
      2  -0.579596D+01 -0.463810D+00 -0.429513D+01  0.347010D+01  0.730848D+00
      3  -0.632557D+01  0.436413D+01 -0.413951D+01  0.560909D+01  0.133523D+02
                41            42            43            44            45 
      1   0.270178D+00 -0.231101D+01  0.373225D+01  0.131074D+01  0.487781D+01
      2  -0.418092D+01 -0.947909D+00 -0.937006D+01 -0.296607D+01  0.125843D+01
      3  -0.710857D-01  0.354567D+01  0.475278D+01  0.167218D+00  0.419651D+00
                46            47            48            49            50 
      1   0.453021D+01  0.103659D+01 -0.260437D+01 -0.492488D+01 -0.932356D+00
      2   0.723380D+01 -0.920747D+00  0.169605D+01 -0.903631D+01  0.215743D+01
      3  -0.687507D+01 -0.426385D+01 -0.195335D+01  0.106161D+02 -0.890051D+00
                51            52            53            54            55 
      1  -0.401862D+01 -0.706993D+01  0.275910D+01 -0.157428D+01  0.326549D+01
      2   0.282319D+00 -0.641515D+01  0.287624D+01 -0.280823D+01  0.249013D+02
      3   0.149618D+01 -0.543159D+01 -0.306125D+01  0.140274D+01 -0.190918D+02
                56            57            58            59            60 
      1  -0.403399D+00 -0.153763D+01 -0.372410D+01 -0.733944D+01 -0.739440D+01
      2  -0.543137D+01 -0.416798D+01 -0.106477D+02 -0.139417D+01  0.122309D+02
      3   0.604924D+01  0.376660D+01  0.248671D+02  0.153533D+02  0.755222D+01
                61            62            63            64            65 
      1  -0.204159D+01 -0.143003D+01  0.778158D+01 -0.276796D+01 -0.114206D+00
      2  -0.283159D+02  0.114242D+02 -0.123817D+02 -0.366493D+02  0.516695D+01
      3   0.958985D+01  0.238572D+01 -0.121054D+02  0.215494D+02 -0.952892D+01
                66            67            68            69            70 
      1   0.437623D+00  0.462261D+01  0.552808D+00 -0.391198D+01  0.871849D-01
      2   0.304051D+01  0.129987D+02  0.864339D+00 -0.155362D+02  0.625675D+01
      3  -0.313630D+01 -0.471136D+01 -0.231546D+02 -0.457559D+01 -0.145222D+02
                71            72            73            74            75 
      1   0.314918D+01 -0.413320D+00  0.978296D+01 -0.297086D+01 -0.104470D+01
      2  -0.178867D+02  0.840311D+01  0.214157D+02 -0.483026D+01  0.725726D+00
      3  -0.617755D+01  0.182262D+02 -0.185380D+02 -0.259787D+01 -0.429079D+01
                76            77            78            79            80 
      1  -0.208403D+01 -0.272829D+01  0.673997D+01 -0.362130D+01  0.140523D+02
      2  -0.422989D+01 -0.350346D+01  0.139785D+02 -0.581777D+01  0.192026D+02
      3  -0.242712D+01  0.170387D+02  0.625329D+01 -0.466553D+01  0.998085D+01
                81            82            83            84            85 
      1  -0.655153D+01 -0.604564D+01  0.314773D+01  0.271649D+01  0.589831D+01
      2  -0.113059D+02  0.272055D+02 -0.247034D+01  0.800251D+01 -0.572833D+01
      3  -0.192879D+02 -0.916618D+01  0.549705D+01  0.878712D+01  0.123506D+02
                86            87            88            89            90 
      1   0.125466D+02 -0.518300D+01  0.385659D+01  0.153407D+01 -0.499297D+01
      2  -0.245204D+01  0.124717D+02  0.655431D+01  0.121037D+02 -0.478952D+01
      3   0.283700D+02 -0.279798D+00  0.131825D+02  0.619006D+01 -0.146765D+02
                91            92            93            94            95 
      1  -0.204821D+01 -0.238759D+01 -0.554404D+00 -0.583464D+01  0.161235D+01
      2   0.157439D+02 -0.205456D+01 -0.276190D+01 -0.449337D+01 -0.117187D+02
      3  -0.747145D+00 -0.657030D+00  0.243640D+01  0.163905D+02 -0.606625D+01
                96            97            98            99           100 
      1  -0.921364D+01  0.157445D+01 -0.204215D+00  0.188564D+00  0.258112D+01
      2  -0.514679D+01 -0.337432D+02 -0.151132D+01  0.228662D+01 -0.281767D+02
      3   0.152215D+02  0.456800D+01  0.122246D+02  0.315677D+01  0.510643D+01
               101           102           103           104           105 
      1   0.693909D+01  0.263436D+01  0.313755D+01  0.249343D+01  0.636823D+01
      2   0.374512D+01  0.101931D+02  0.124321D+02  0.961552D+01 -0.920198D+01
      3   0.118038D+01 -0.197445D+01  0.866295D+01  0.122925D+02 -0.106793D+02
               106           107           108           109           110 
      1  -0.158204D+01  0.443727D+01 -0.412987D-01 -0.172988D+01 -0.346461D+01
      2  -0.169995D+01 -0.350172D+01  0.480939D+01  0.161106D+01 -0.155846D+01
      3  -0.181325D+01 -0.179071D+02  0.843040D+00 -0.107791D+02 -0.116518D+02
               111           112           113           114           115 
      1  -0.316302D+01 -0.116039D+00 -0.553234D+01 -0.756905D+01 -0.946608D+00
      2   0.494475D+01 -0.117193D+02 -0.847326D+01  0.140033D+02  0.792340D+01
      3   0.152974D+01 -0.659909D+01 -0.328663D+02  0.598492D+01 -0.554633D+00
               116           117           118           119           120 
      1   0.357835D+01  0.163190D+01  0.299507D+01 -0.800149D+00 -0.988497D+00
      2   0.957518D+01 -0.121815D+02  0.115481D+02 -0.435314D+01 -0.899990D+01
      3   0.122880D+02 -0.847368D+01  0.397477D+01 -0.211756D+01  0.108966D+01
               121           122           123           124           125 
      1   0.320041D+01  0.349218D+01 -0.748077D+01 -0.207651D+01  0.160490D+01
      2   0.189076D+01 -0.512364D+01 -0.457144D+01 -0.113775D+02 -0.132360D+01
      3  -0.526608D+00  0.198610D+02  0.415331D+01  0.446312D+01  0.111955D+01
               126           127           128           129           130 
      1   0.297923D+01 -0.858852D+00  0.908170D+00  0.922259D+00  0.135015D+01
      2   0.117511D+02 -0.308068D+01  0.107588D+01 -0.107839D+00  0.213763D+01
      3   0.423903D+01 -0.307313D+01  0.469575D+00 -0.541474D+00  0.249205D+01
               131           132           133           134           135 
      1  -0.331689D+01 -0.119553D+01 -0.150846D+01  0.404506D+01 -0.237735D+00
      2   0.320543D+00 -0.171674D+01 -0.408317D+01  0.264209D+00  0.109538D+01
      3   0.149395D+01 -0.587872D+00 -0.229096D+01 -0.814625D+00  0.158404D+00
               136           137           138           139           140 
      1  -0.167096D+01 -0.238090D+01 -0.152149D+01 -0.120830D+01 -0.163205D+01
      2   0.419333D+01  0.178380D+01  0.805691D+00  0.261268D+01  0.150674D+01
      3   0.595017D+01  0.564637D+00 -0.316639D+00  0.475946D+01 -0.113289D+01
               141           142           143           144           145 
      1  -0.268747D+01 -0.287443D+00  0.188861D+01  0.361121D-01  0.176820D+01
      2   0.126959D+01 -0.581124D+00 -0.479007D+00 -0.635964D+00 -0.111896D+01
      3  -0.172483D+00  0.707879D+00  0.128615D+01  0.275833D+00 -0.445196D+01
               146           147           148           149           150 
      1  -0.592279D+00  0.266860D+01 -0.782494D+00  0.525738D+00 -0.457835D+01
      2   0.137879D+00  0.487774D+00  0.820522D+00  0.710950D+00 -0.207494D+01
      3   0.959537D+00 -0.195264D+01  0.356118D+01  0.235532D-01  0.973232D+00
               151           152           153           154           155 
      1   0.625467D+00  0.136638D+01  0.202675D+01  0.698295D+00 -0.591662D+00
      2  -0.246096D+01 -0.202060D+00  0.702752D+00  0.149804D+01  0.618687D+00
      3  -0.350177D+01  0.718717D+00 -0.124629D+01  0.663783D+01  0.725474D+00
               156           157           158           159           160 
      1  -0.189299D+01  0.188892D+01  0.174741D+01 -0.394640D+01 -0.149414D+00
      2   0.105659D+01  0.437428D-01  0.348075D+00  0.176473D+01 -0.148639D+01
      3  -0.865039D+00  0.569572D+01 -0.118425D+01 -0.559806D+00  0.108839D+00
               161           162           163           164           165 
      1   0.769951D+00  0.788017D+00  0.182656D+01  0.203228D+01 -0.119213D+00
      2   0.157858D+00 -0.584490D+00 -0.334478D+01  0.627693D-01  0.331666D+01
      3   0.112908D+01  0.383739D-01 -0.445200D+01 -0.602342D+01 -0.230509D+01
               166           167           168           169           170 
      1   0.265648D+01  0.925668D+01 -0.450769D+00  0.743469D+00  0.189012D+01
      2  -0.118688D+01  0.394467D+01  0.434241D+01  0.289352D+01  0.209622D+01
      3  -0.323855D+01 -0.219372D+02 -0.801208D+01 -0.383651D+01 -0.307639D+01
               171           172           173           174           175 
      1  -0.174855D-01 -0.167667D+01  0.899198D+00 -0.486972D+00  0.160209D+01
      2   0.376365D+01  0.247332D+01  0.505153D+00  0.316019D+01  0.251990D+01
      3  -0.273969D+01  0.471876D+01 -0.328464D+01  0.115629D+01 -0.398881D+01
               176           177           178           179           180 
      1  -0.247239D+01  0.289883D+01 -0.176672D+01  0.560099D+01 -0.679560D+01
      2   0.332378D+01 -0.896565D+01  0.284646D+01 -0.346009D+01  0.242545D+02
      3   0.216915D+01 -0.579263D+01  0.216429D+01 -0.430100D+01  0.695007D+01
               181           182           183           184           185 
      1   0.305723D+00  0.118230D+01 -0.167040D-01  0.158242D+00  0.328124D-01
      2   0.908306D+01  0.862338D-01  0.114138D+02 -0.146396D+01  0.136913D+01
      3  -0.373008D+01 -0.841612D+01 -0.415010D+00 -0.465643D+01  0.104666D+01
               186           187           188           189           190 
      1  -0.744212D+00 -0.137755D+00  0.165135D+01  0.208032D+00  0.585526D+00
      2   0.384406D+01  0.581363D+01  0.373923D+01  0.809986D+01  0.199397D+01
      3  -0.215693D+01  0.181997D+01 -0.332542D+01 -0.329092D+01  0.556917D+01
               191           192           193           194           195 
      1   0.784619D-02  0.165786D+00 -0.273587D+00  0.319837D+01 -0.686776D+01
      2   0.148048D+00  0.124314D+01  0.173088D+00  0.821629D+01 -0.926678D+01
      3  -0.242958D+00 -0.737268D+00  0.139797D+01  0.111250D+02 -0.913967D+01
               196           197           198           199           200 
      1   0.318023D+00 -0.351914D+01  0.121882D+02 -0.297706D+01 -0.219443D+00
      2  -0.126654D+01 -0.125140D+02  0.208840D+02 -0.903563D+01 -0.187082D+01
      3  -0.117660D+01 -0.152713D+02  0.141609D+02  0.199244D+02  0.686610D+01
               201           202           203           204           205 
      1  -0.380002D+01 -0.305932D+00 -0.928694D+00 -0.228598D+01 -0.245522D+01
      2  -0.433819D+01 -0.800224D+00 -0.159215D+01 -0.214810D+01 -0.617688D+01
      3   0.601270D+01  0.725416D+01  0.436981D+01  0.241477D+01  0.616872D+01
               206           207           208           209           210 
      1  -0.546747D+00 -0.252025D+01 -0.592320D+01  0.202712D+01  0.525337D+01
      2  -0.408302D+01 -0.416513D+01 -0.106361D+02  0.561730D+01  0.949858D+01
      3   0.428570D+01  0.714670D+01  0.336551D+01 -0.950738D+01 -0.607647D+00
               211           212           213           214           215 
      1   0.301030D+01 -0.216220D+01 -0.410241D+01  0.505290D+01 -0.247471D+01
      2   0.371435D+01 -0.477060D+01 -0.572595D+01  0.792019D+01 -0.833128D+01
      3  -0.343513D+01  0.681019D+01  0.238519D+01 -0.396159D+00  0.654385D+01
               216           217           218           219           220 
      1  -0.467560D+01  0.541808D+00  0.244628D+01  0.125646D+01  0.111765D+01
      2  -0.884743D+01 -0.213884D+02  0.271942D+00 -0.119841D+02 -0.249292D+00
      3   0.479624D+01 -0.406540D+01  0.166816D+01 -0.192853D+01  0.322095D+01
               221           222           223           224           225 
      1  -0.185043D+00 -0.155883D+00  0.577624D+00  0.207229D+01  0.197258D+01
      2  -0.254404D+01 -0.310430D+01 -0.119642D+02 -0.698381D+00 -0.126189D+02
      3  -0.222991D+01  0.150440D+01 -0.252045D+01  0.106754D+01 -0.717956D+00
               226           227           228           229           230 
      1  -0.115170D+01 -0.212448D+01 -0.578944D+00 -0.234203D+01 -0.125561D+02
      2  -0.299319D+01  0.925711D+00  0.154095D+01  0.720027D+00 -0.310791D+01
      3  -0.517045D+01 -0.584009D+01 -0.185213D+00 -0.364233D+01 -0.361509D+02
               231           232           233           234           235 
      1  -0.335525D+01 -0.197638D+00 -0.147089D+00 -0.979994D+00  0.489159D+01
      2   0.580446D+01 -0.761806D+00  0.231193D+01  0.683580D+00 -0.968090D+01
      3   0.332632D+01 -0.629314D+00 -0.261003D+01 -0.222880D+01  0.877273D+01
               236           237           238           239           240 
      1  -0.389528D+01 -0.304516D+01 -0.320783D+01  0.186755D+01  0.128905D+01
      2   0.645672D+00  0.114289D+02  0.334804D+01 -0.203688D+01 -0.772511D+01
      3  -0.859436D+01 -0.507523D+01 -0.737696D+01  0.327005D+01  0.440200D+01
               241           242           243           244           245 
      1  -0.432502D+01  0.334182D+01  0.362354D+01 -0.200017D+01  0.112397D+01
      2   0.689976D+01 -0.249864D+01 -0.136541D+02  0.153767D+01  0.154467D+00
      3  -0.561790D+01  0.407908D+01  0.590833D+01  0.543813D+01 -0.274030D+01
               246           247           248           249           250 
      1  -0.359180D+00  0.101768D+01 -0.532179D+01 -0.546308D+00 -0.900767D+00
      2   0.273530D+01  0.347913D+00  0.505806D+01 -0.490497D+01  0.190690D+01
      3   0.154167D+01  0.317587D+00  0.133073D+02 -0.585575D+01  0.117334D+01
               251           252           253           254           255 
      1   0.340140D+01 -0.465236D+00  0.392854D+01  0.386038D+01 -0.380825D+01
      2  -0.368073D+01  0.572403D+01 -0.552514D+01  0.151000D+01  0.192518D+02
      3  -0.664088D+01  0.400356D+01 -0.417608D+01 -0.728709D+01 -0.677202D+01
               256           257           258           259           260 
      1   0.462003D+01 -0.101005D+02  0.428656D+01 -0.828923D+00  0.976023D+01
      2   0.248620D+01  0.974384D+01  0.768450D+01  0.158773D+02  0.372239D+01
      3  -0.858474D+01  0.635758D+01 -0.141241D+02 -0.845924D+01 -0.127565D+02
               261           262           263           264           265 
      1   0.592287D+01 -0.266903D+01 -0.851046D+00  0.299662D+01  0.241052D+00
      2  -0.685209D+01 -0.954782D+01  0.411883D+01  0.113925D+02 -0.161878D+01
      3  -0.256721D+01  0.203355D+01 -0.474115D+01 -0.120386D+01 -0.131530D+01
               266           267           268           269           270 
      1  -0.959469D+00 -0.372818D+00  0.404451D+01  0.837943D+00 -0.511123D+01
      2  -0.177744D+01  0.152847D+01  0.146520D+02 -0.638608D+01 -0.222335D+02
      3   0.183457D+01  0.158443D+01 -0.199865D+01  0.640701D+01  0.288299D+01
               271           272           273           274           275 
      1   0.248965D+01 -0.174067D+01  0.150511D+01 -0.993566D+00  0.137732D+02
      2   0.220678D+00 -0.113366D+01 -0.117640D+01 -0.139002D+01 -0.134214D+01
      3  -0.375146D+01  0.280009D+01 -0.619325D+00  0.403045D+01 -0.178129D+02
               276           277           278           279           280 
      1  -0.624288D+01  0.150217D+01 -0.424662D+01  0.478569D+01 -0.132668D+01
      2   0.333131D+01 -0.181450D+01  0.110657D+01 -0.237595D+01 -0.524571D+01
      3   0.240149D+01 -0.274458D+01  0.653275D+01 -0.232468D+01  0.485296D+01
               281           282           283           284           285 
      1   0.338389D+01 -0.178126D+01  0.191450D+01  0.149683D+01 -0.431510D+00
      2   0.862799D+00  0.456358D+01 -0.976236D-01 -0.936561D+00 -0.457937D+00
      3  -0.583318D+01  0.631066D+00 -0.174106D+01 -0.164824D+01 -0.359559D+00
               286           287           288           289           290 
      1  -0.183861D+01  0.109873D+01 -0.218869D+01 -0.271756D+01 -0.313458D+01
      2   0.339942D+00  0.630102D+00  0.500512D+01  0.128771D+02 -0.155429D+01
      3   0.216635D+01 -0.150149D+01  0.574124D+00 -0.372167D+01  0.172204D+01
               291           292           293           294           295 
      1   0.307095D+01 -0.191315D+01 -0.421543D+00  0.195273D+00  0.221385D+01
      2  -0.135716D+02  0.137038D+01  0.209316D+01 -0.221185D+01 -0.115725D+02
      3   0.428782D+01  0.211306D+01 -0.997874D+00 -0.570543D+00  0.322454D+01
               296           297 
      1   0.257707D+01 -0.595821D+01
      2   0.188570D+01  0.208724D+02
      3  -0.103236D+01 -0.473820D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.449626D+01  0.137443D+02 -0.551292D+01 -0.303746D+02  0.151384D+02
      2   0.652469D+01 -0.130291D+02  0.683188D+01  0.184508D+02 -0.421579D+01
      3  -0.202843D+01 -0.715208D+00 -0.131896D+01  0.119238D+02 -0.109226D+02
      4   0.981530D+01  0.443385D+01  0.604376D+01  0.158535D+02 -0.715206D+00
      5  -0.100600D+02  0.772719D+01 -0.557917D+01 -0.774315D+01 -0.325056D+01
      6   0.891236D+01  0.158906D+01  0.694854D+00 -0.555050D+01  0.892217D+01
                 6             7             8             9            10 
      1  -0.130877D+02  0.114785D+02  0.425220D+01 -0.107269D+02  0.637769D+02
      2   0.722860D+01 -0.818188D+01  0.155647D+01 -0.103310D+02 -0.332354D+02
      3   0.585910D+01 -0.329658D+01 -0.580867D+01  0.210579D+02 -0.305415D+02
      4  -0.308275D+01  0.102357D+02 -0.704880D+01  0.388536D+01 -0.250376D+01
      5  -0.156604D+01  0.435142D+01  0.369574D+01 -0.212338D+01  0.118789D+02
      6  -0.595401D+01  0.706576D+01 -0.145860D+01  0.415814D+01  0.519929D+00
                11            12            13            14            15 
      1  -0.231711D+01  0.778383D+01 -0.108541D+02 -0.155058D+02  0.569430D+01
      2   0.646652D+01 -0.688832D+01  0.431265D+01  0.121460D+02 -0.110276D+02
      3  -0.414941D+01 -0.895511D+00  0.654145D+01  0.335974D+01  0.533329D+01
      4   0.787420D+01 -0.513207D+01 -0.110056D+02  0.403629D+01  0.102103D+01
      5  -0.440282D+01  0.166032D+01  0.123271D+02  0.398246D+00  0.739732D+00
      6   0.205507D+01 -0.998411D+00 -0.222623D+00 -0.416940D+01  0.527321D+01
                16            17            18            19            20 
      1   0.329513D+01  0.687546D+01 -0.715934D+01  0.267291D+01 -0.148326D+02
      2  -0.544497D+01 -0.129396D+01 -0.154286D+01 -0.981688D+01  0.627375D+01
      3   0.214984D+01 -0.558151D+01  0.870220D+01  0.714397D+01  0.855883D+01
      4   0.143490D+02  0.331470D+01 -0.359443D+00 -0.135534D+02 -0.752758D+01
      5   0.966896D+01 -0.401336D-01  0.579237D+01  0.283800D+01 -0.302014D+01
      6   0.958531D+01  0.118798D+02  0.490269D+01 -0.574903D+01 -0.546112D+01
                21            22            23            24            25 
      1   0.131093D+02  0.201109D+02  0.105832D+01 -0.278590D+01 -0.129521D+02
      2  -0.102894D+01 -0.138959D+02 -0.937706D+00  0.349784D+01  0.129157D+02
      3  -0.120804D+02 -0.621496D+01 -0.120611D+00 -0.711938D+00  0.363722D-01
      4  -0.669507D+00  0.668109D+01 -0.495699D+01  0.621310D+01 -0.869023D+01
      5   0.705699D+01  0.317953D+01  0.759396D+01 -0.140417D+01  0.720472D+01
      6   0.120036D+01  0.136263D+02  0.885603D+01  0.532509D+01 -0.853181D+01
                26            27            28            29            30 
      1  -0.139744D+02 -0.582636D+00  0.135316D+02  0.454806D+01  0.194128D+01
      2   0.143706D+02 -0.470558D+01 -0.119701D+02 -0.505543D+01 -0.322111D+01
      3  -0.396212D+00  0.528821D+01 -0.156155D+01  0.507375D+00  0.127983D+01
      4  -0.108279D+01 -0.301539D+01  0.284767D+00  0.664936D+01 -0.134185D+01
      5  -0.176605D+01 -0.589233D+01  0.500617D+01 -0.105205D+01  0.483462D+01
      6  -0.652377D+00 -0.853200D+00  0.910427D+01  0.321893D+01 -0.136188D+01
                31            32            33            34            35 
      1  -0.585359D+01 -0.143488D+02  0.442241D+01 -0.363211D+01  0.778948D+01
      2  -0.366325D+01  0.802133D+01 -0.129953D+02 -0.925876D+00 -0.580611D+01
      3   0.951684D+01  0.632748D+01  0.857287D+01  0.455798D+01 -0.198337D+01
      4  -0.945227D+01 -0.195293D+01  0.170130D+01  0.162439D+02  0.322270D+01
      5   0.129033D+02  0.195684D+01  0.635703D+01  0.145165D+02  0.186310D+01
      6  -0.534502D+01 -0.652880D+01  0.400084D+01  0.440751D+01  0.105425D+02
                36            37            38            39            40 
      1  -0.244786D+01  0.888296D+01  0.206822D+02 -0.136996D+01 -0.204034D+02
      2  -0.149405D+01  0.290600D+01 -0.211918D+02  0.478082D+01  0.173875D+02
      3   0.394191D+01 -0.117890D+02  0.509620D+00 -0.341085D+01  0.301592D+01
      4   0.112686D+01  0.587209D+01 -0.170886D+01  0.611735D+01  0.943787D+01
      5  -0.900723D+00 -0.710104D+01  0.865273D+01 -0.705258D+01  0.167929D+01
      6   0.322818D+01  0.482062D+01 -0.454942D+01 -0.109543D+01 -0.984091D+01
                41            42            43            44            45 
      1   0.551791D+01 -0.969511D+01  0.606444D+01 -0.252944D+01 -0.825321D+01
      2   0.404088D+01  0.107652D+02 -0.976525D+01  0.736217D+01 -0.666788D+01
      3  -0.955878D+01 -0.107008D+01  0.370081D+01 -0.483273D+01  0.149211D+02
      4   0.157761D+01 -0.543800D+01  0.489801D+01 -0.110893D+02  0.522093D+01
      5  -0.453319D+01 -0.396192D+01  0.100121D+02  0.510702D+01 -0.880489D+00
      6   0.125616D+02 -0.701432D+01  0.644317D+01  0.122651D+01 -0.573288D+00
                46            47            48            49            50 
      1  -0.166728D+01 -0.162283D+02  0.754160D+01  0.282549D+02 -0.656029D+01
      2  -0.757353D+01  0.855813D+01 -0.327761D+01 -0.225526D+02  0.466436D+01
      3   0.924081D+01  0.767020D+01 -0.426399D+01 -0.570225D+01  0.189593D+01
      4  -0.989774D+01 -0.990045D+01 -0.176946D+00  0.806851D-01 -0.721455D+01
      5  -0.451527D+01 -0.265762D+01  0.880135D+01  0.924666D+01  0.540751D+01
      6  -0.239542D+01 -0.732480D+01  0.604301D+01  0.106242D+02  0.123751D+02
                51            52            53            54            55 
      1  -0.207243D+01 -0.292428D+02 -0.206705D+02 -0.685581D-02 -0.576640D+02
      2   0.418564D+01  0.175101D+02  0.225637D+02 -0.197907D+01  0.259200D+02
      3  -0.211321D+01  0.117327D+02 -0.189312D+01  0.198593D+01  0.317440D+02
      4   0.577584D+01 -0.794536D+01  0.169676D+01  0.835576D+00  0.121764D+02
      5   0.131198D+01  0.942048D+01 -0.133973D+01 -0.354667D+01  0.158549D+02
      6   0.659396D+01 -0.327374D+01  0.598392D+01  0.389824D+00  0.143311D+00
                56            57            58            59            60 
      1   0.100254D+02  0.118634D+02  0.283666D+02 -0.354370D+01 -0.105916D+02
      2  -0.461482D+01 -0.549637D+01 -0.235736D+02 -0.409182D+01 -0.636289D+01
      3  -0.541054D+01 -0.636699D+01 -0.479301D+01  0.763552D+01  0.169545D+02
      4  -0.188525D+02 -0.749380D+01 -0.275023D+02 -0.422823D+02 -0.186963D+02
      5  -0.801459D+01 -0.139609D+02 -0.108687D+02 -0.177035D+02  0.209296D+02
      6  -0.329988D+01 -0.150258D+01 -0.126862D+02 -0.147571D+02 -0.698973D+01
                61            62            63            64            65 
      1   0.434576D+02 -0.117823D+02  0.465637D+01 -0.446680D+02 -0.248333D+02
      2  -0.118742D+02 -0.274606D+01  0.149394D+02  0.271109D+02  0.102392D+02
      3  -0.315834D+02  0.145284D+02 -0.195958D+02  0.175571D+02  0.145941D+02
      4  -0.112960D+02 -0.706492D+01  0.157830D+02 -0.270787D+02  0.147529D+02
      5  -0.218672D+02  0.157166D+02 -0.357028D+02 -0.639794D+02  0.585838D+01
      6  -0.129102D+01 -0.396499D+01  0.564247D+01  0.110480D+01  0.420910D+00
                66            67            68            69            70 
      1  -0.584281D+02 -0.469350D+02  0.110002D+02  0.573960D+01 -0.942223D+02
      2   0.283483D+02  0.290138D+02 -0.119791D+02 -0.565156D+01  0.458994D+02
      3   0.300798D+02  0.179212D+02  0.978866D+00 -0.880393D-01  0.483229D+02
      4   0.687336D+01  0.910904D+01  0.436634D+02  0.622259D+01  0.155302D+02
      5  -0.366472D+01  0.100650D+02  0.477108D+01 -0.305218D+02 -0.970233D+01
      6   0.115851D+01  0.166591D+01 -0.502444D+00  0.142208D+00 -0.407564D+01
                71            72            73            74            75 
      1   0.103814D+02 -0.166792D+02  0.741476D+01  0.282312D+02  0.397031D+02
      2  -0.708681D+01  0.118547D+02 -0.121509D+02 -0.968408D+01 -0.176264D+02
      3  -0.329463D+01  0.482450D+01  0.473616D+01 -0.185471D+02 -0.220767D+02
      4   0.129046D+02 -0.330511D+02  0.273930D+02 -0.264998D+02 -0.237351D+02
      5  -0.334901D+02  0.139430D+02  0.400487D+02 -0.148454D+02 -0.547347D+01
      6   0.201918D+01  0.260703D+01 -0.194643D+02  0.471657D+01 -0.365973D+00
                76            77            78            79            80 
      1   0.275817D+02 -0.159719D+02 -0.127774D+02  0.499753D+02 -0.220397D+02
      2  -0.120105D+02  0.200255D+02  0.827140D+01 -0.212773D+02  0.126123D+02
      3  -0.155712D+02 -0.405359D+01  0.450600D+01 -0.286980D+02  0.942736D+01
      4  -0.183707D+02 -0.179549D+02 -0.469606D+01 -0.303547D+02 -0.770508D+01
      5  -0.107729D+02 -0.489884D+01  0.294181D+02 -0.110832D+02  0.404573D+02
      6   0.395933D+01  0.576891D+01 -0.156057D+02  0.584559D+01 -0.181126D+02
                81            82            83            84            85 
      1   0.603013D+01  0.353659D+01  0.175706D+02  0.526391D+02  0.287952D+02
      2  -0.116410D+02  0.146735D+02 -0.126523D+02 -0.267524D+02 -0.239059D+02
      3   0.561085D+01 -0.182100D+02 -0.491825D+01 -0.258868D+02 -0.488930D+01
      4   0.409646D+02  0.195573D+02 -0.110115D+02 -0.552111D+01 -0.160917D+02
      5  -0.233794D+02  0.482836D+02 -0.111419D+02 -0.231207D+02 -0.235258D+02
      6   0.123519D+02 -0.335061D+01  0.238296D+01  0.311406D+01  0.345913D+01
                86            87            88            89            90 
      1  -0.116583D+02 -0.134909D+02  0.572860D+02 -0.836927D+01 -0.842175D+01
      2  -0.931741D+01  0.138587D+02 -0.311230D+02  0.108552D+02  0.492398D+01
      3   0.209757D+02 -0.367802D+00 -0.261629D+02 -0.248592D+01  0.349777D+01
      4  -0.621215D+02 -0.151754D+01 -0.105242D+02 -0.138095D+02  0.265894D+02
      5   0.238748D+01  0.303284D+02 -0.198280D+02  0.277103D+02 -0.266975D+01
      6   0.104267D+02  0.342570D+01  0.541435D+01  0.372836D+01 -0.941204D+01
                91            92            93            94            95 
      1  -0.394645D+01  0.107176D+02  0.198637D+02  0.616519D+01  0.607326D+01
      2   0.127940D+01 -0.532732D+01 -0.641730D+01  0.132012D+01  0.255974D+01
      3   0.266705D+01 -0.539029D+01 -0.134464D+02 -0.748532D+01 -0.863300D+01
      4   0.988978D+01 -0.541073D+01 -0.179528D+01 -0.134683D+02  0.127972D+02
      5   0.184266D+02 -0.152200D+01 -0.989832D+01 -0.132377D+02 -0.287837D+02
      6  -0.580786D+00 -0.576213D+01 -0.118574D+01 -0.156622D+02  0.397545D+01
                96            97            98            99           100 
      1   0.354715D+01  0.367839D+02  0.226374D+00 -0.130980D+02 -0.481237D+01
      2   0.519374D+01 -0.159029D+02 -0.388829D+00  0.769096D+01 -0.107691D+01
      3  -0.874089D+01 -0.208810D+02  0.162455D+00  0.540702D+01  0.588928D+01
      4  -0.281109D+02 -0.128095D+02 -0.216736D+02 -0.109056D+00 -0.159464D+02
      5  -0.110742D+02 -0.397518D+02 -0.142957D+00 -0.157204D+01  0.122969D+01
      6  -0.185496D+02 -0.519195D+01 -0.142226D+02 -0.609271D+01  0.149267D+01
               101           102           103           104           105 
      1  -0.114933D+02 -0.751102D+01 -0.367030D+02 -0.180904D+02  0.140067D+02
      2   0.584698D+01  0.285327D+01  0.239615D+02  0.215751D+01 -0.144788D+02
      3   0.564629D+01  0.465775D+01  0.127414D+02  0.159328D+02  0.472132D+00
      4  -0.172065D+02  0.432598D+01 -0.353371D+02 -0.179446D+02  0.212988D+02
      5   0.484223D+01  0.109082D+02  0.259664D+02  0.209260D+02 -0.209059D+02
      6   0.835334D+01 -0.985551D+00  0.103724D+02  0.354511D+01 -0.106372D+02
               106           107           108           109           110 
      1   0.844052D+01  0.780611D+01  0.192326D+02  0.488191D+02  0.264315D+02
      2   0.148316D+01 -0.411045D+01 -0.123525D+02 -0.223246D+02 -0.990922D+01
      3  -0.992368D+01 -0.369567D+01 -0.688018D+01 -0.264945D+02 -0.165223D+02
      4   0.941433D+01  0.318003D+02 -0.780274D+01  0.366676D+02  0.301010D+02
      5   0.210278D+02 -0.733069D+01 -0.807742D+01 -0.180772D+02 -0.730416D+01
      6  -0.422582D+00 -0.555190D+01  0.980499D+00 -0.715405D+01 -0.592983D+01
               111           112           113           114           115 
      1  -0.107802D+02  0.555262D+02  0.150396D+02 -0.793375D+01 -0.218424D+02
      2   0.605690D+01 -0.254237D+02  0.511168D+01  0.572977D+01  0.138981D+02
      3   0.472326D+01 -0.301025D+02 -0.201513D+02  0.220398D+01  0.794429D+01
      4  -0.504907D+01  0.444390D+02  0.684387D+02 -0.158504D+02 -0.121235D+02
      5   0.117778D+02 -0.239090D+02 -0.161753D+02  0.288758D+02  0.214482D+02
      6   0.391211D+01 -0.708682D+01 -0.170258D+02  0.145485D+02  0.376166D+01
               116           117           118           119           120 
      1  -0.211394D+01  0.187920D+01 -0.935790D+00 -0.113480D+02  0.156260D+02
      2   0.117986D+01 -0.680182D+01  0.999086D+01  0.132152D+01 -0.141544D+02
      3   0.934078D+00  0.492262D+01 -0.905507D+01  0.100265D+02 -0.147159D+01
      4  -0.235352D+02  0.201047D+02 -0.894294D+01  0.944856D+01 -0.892228D+01
      5   0.194163D+02 -0.218056D+02  0.238831D+02 -0.570019D+01 -0.244903D+02
      6   0.140563D+02 -0.101518D+02 -0.271655D+01  0.133934D+00  0.362177D+01
               121           122           123           124           125 
      1  -0.253575D+02  0.361030D+01 -0.648180D+01  0.262718D+02 -0.133910D+02
      2   0.676105D+01  0.134997D+02  0.428881D+01 -0.215325D+02  0.680411D+01
      3   0.185965D+02 -0.171100D+02  0.219299D+01 -0.473931D+01  0.658693D+01
      4   0.319527D+02 -0.468034D+02 -0.132099D+02 -0.113149D+02 -0.403793D+00
      5   0.515038D+01 -0.103700D+02 -0.855457D+01 -0.318544D+02  0.409978D+00
      6  -0.641167D+01  0.126377D+02  0.121453D+02  0.469160D+01  0.699230D+01
               126           127           128           129           130 
      1  -0.308968D+02  0.841159D-02  0.113458D+01 -0.290971D+01  0.372791D+01
      2   0.214237D+02 -0.971801D+00  0.431621D+00 -0.144008D+01 -0.270970D+01
      3   0.947313D+01  0.963389D+00 -0.156620D+01  0.434979D+01 -0.101821D+01
      4   0.146362D+01 -0.676294D+01  0.687203D+01 -0.464594D+01  0.770974D+01
      5   0.340060D+02  0.453405D+01 -0.427657D+01  0.543422D+01 -0.420082D+01
      6   0.345314D+00 -0.487755D+01  0.494178D+01 -0.436082D+01  0.626681D+01
               131           132           133           134           135 
      1  -0.159453D+02  0.128780D+02 -0.100186D+01  0.927012D+01 -0.110646D+02
      2   0.114294D+02 -0.401083D+01 -0.918656D+00 -0.475648D+01  0.136889D+01
      3   0.451588D+01 -0.886716D+01  0.192052D+01 -0.451364D+01  0.969568D+01
      4  -0.112249D+02  0.663721D+01 -0.713937D+01  0.885787D+01 -0.706467D+01
      5   0.477954D+01 -0.450570D+01  0.524052D+01 -0.504082D+01  0.742985D+01
      6  -0.169889D+02  0.142470D+02 -0.587109D+01  0.125393D+02 -0.127413D+02
               136           137           138           139           140 
      1   0.361307D+01 -0.208513D+01  0.182174D+00 -0.373416D+01 -0.123913D+02
      2   0.140284D+01  0.518702D+01 -0.632789D+00  0.648224D+01  0.171799D+02
      3  -0.501591D+01 -0.310189D+01  0.450616D+00 -0.274808D+01 -0.478860D+01
      4   0.873408D+01  0.826448D+01 -0.192039D+01  0.998233D+01  0.132277D+02
      5  -0.544651D+01 -0.340837D+01  0.346410D+01 -0.594209D+01 -0.722977D+01
      6  -0.204384D+01 -0.221827D+01  0.228904D+01 -0.493133D+01 -0.915162D+01
               141           142           143           144           145 
      1   0.468929D+01  0.155881D+01  0.566273D+01 -0.322770D+01 -0.324403D+01
      2  -0.356156D+01 -0.206916D+01 -0.602800D+01  0.204314D+01  0.359258D+01
      3  -0.112773D+01  0.510349D+00  0.365262D+00  0.118456D+01 -0.348547D+00
      4  -0.366386D+01 -0.298494D+01 -0.302902D+01  0.264358D+01 -0.820923D+01
      5   0.532043D+01  0.340198D+01  0.318416D+01 -0.272737D+01  0.487585D+01
      6   0.635498D+01  0.287958D+01  0.532892D+01 -0.366291D+01 -0.668438D+01
               146           147           148           149           150 
      1   0.448209D+01 -0.439372D+01  0.681192D+01 -0.235358D+02  0.150284D+02
      2  -0.464730D+01  0.218998D+01 -0.747902D+01  0.261468D+02 -0.116723D+02
      3   0.165209D+00  0.220374D+01  0.667103D+00 -0.261101D+01 -0.335609D+01
      4   0.935083D+01 -0.622351D+01  0.875633D+01 -0.130502D+02  0.696805D+01
      5  -0.423550D+01  0.512782D+01 -0.389846D+01  0.353660D+01 -0.359057D+01
      6   0.679203D+01 -0.614260D+01  0.739358D+01 -0.205533D+02  0.158358D+02
               151           152           153           154           155 
      1  -0.498567D+01  0.150307D+02 -0.118793D+02  0.173465D+01 -0.361992D+01
      2   0.515003D+01 -0.145742D+02  0.744579D+01  0.753906D+01  0.127995D+02
      3  -0.164358D+00 -0.456415D+00  0.443350D+01 -0.927370D+01 -0.917954D+01
      4  -0.682065D+01  0.996939D+01 -0.695011D+01  0.154581D+02  0.160378D+02
      5   0.393173D+01 -0.385158D+01  0.472718D+01 -0.524862D+01 -0.384796D+01
      6  -0.610511D+01  0.143485D+02 -0.128603D+02 -0.154919D+01 -0.958822D+00
               156           157           158           159           160 
      1  -0.927834D+00 -0.229461D+01 -0.168622D+02  0.358022D+01  0.465681D+01
      2  -0.990041D+00  0.125870D+02  0.322558D+02 -0.561973D+01 -0.468054D+01
      3   0.191787D+01 -0.102924D+02 -0.153936D+02  0.203951D+01  0.237293D-01
      4  -0.290664D+01  0.175369D+02  0.246958D+02 -0.552712D+01 -0.309224D+01
      5   0.341966D+01 -0.693848D+01 -0.758215D+01  0.509416D+01  0.181697D+01
      6   0.247902D+01 -0.429973D+01 -0.809574D+01  0.615324D+01  0.284262D+01
               161           162           163           164           165 
      1   0.722158D+01 -0.305507D+01  0.148338D+02  0.766729D+01  0.565308D+00
      2  -0.104620D+02  0.349143D+01 -0.364153D+01 -0.240627D+01 -0.871226D+00
      3   0.324043D+01 -0.436358D+00 -0.111923D+02 -0.526102D+01  0.305918D+00
      4  -0.493902D+01  0.375350D+01  0.160854D+02  0.190912D+02  0.743841D+01
      5   0.398814D+01 -0.225293D+01  0.537501D+01  0.841736D+01  0.890411D+01
      6   0.515438D+01 -0.320246D+01  0.589527D+01  0.485256D+01  0.293055D+01
               166           167           168           169           170 
      1   0.137596D+02 -0.704338D+01 -0.250201D+01 -0.790821D+01 -0.126834D+01
      2  -0.171448D+01  0.176707D+02  0.299609D+01  0.267286D+01  0.452193D+00
      3  -0.120451D+02 -0.106273D+02 -0.494073D+00  0.523535D+01  0.816143D+00
      4   0.272639D+02  0.518541D+02  0.194959D+02  0.554377D+01  0.684117D+01
      5   0.142299D+02  0.188685D+02  0.130121D+02  0.766602D+01  0.754688D+01
      6   0.106809D+02  0.232684D+02  0.135790D+02  0.341115D+01  0.900282D+01
               171           172           173           174           175 
      1  -0.233730D+01  0.677920D+01 -0.368762D+01  0.581393D+01 -0.137368D+02
      2  -0.762484D+00 -0.833134D+01  0.230197D+01 -0.517223D+01  0.112615D+02
      3   0.309979D+01  0.155213D+01  0.138565D+01 -0.641694D+00  0.247534D+01
      4   0.811353D+01 -0.508386D+01  0.499527D+01 -0.667445D+00  0.679346D+01
      5   0.100401D+02  0.980800D+01 -0.165945D+01  0.152840D+02 -0.827289D+01
      6   0.582556D+01 -0.211224D+01  0.107964D+01 -0.330494D-01  0.301843D+01
               176           177           178           179           180 
      1  -0.149510D+01  0.575446D+01  0.481943D+01  0.259389D+01 -0.173646D+02
      2  -0.175088D+01  0.693344D+01 -0.121116D+02  0.346967D+01 -0.243690D+02
      3   0.324598D+01 -0.126879D+02  0.729212D+01 -0.606356D+01  0.417336D+02
      4  -0.335747D+01  0.971516D+01 -0.141002D+01  0.722739D+01 -0.802016D+01
      5   0.100334D+02 -0.206342D+02  0.240669D+02 -0.795152D+01  0.551148D+02
      6  -0.313757D+01  0.715455D+01 -0.109458D+01  0.606822D+01 -0.234017D+01
               181           182           183           184           185 
      1   0.123032D+03  0.121892D+02  0.390131D+02  0.179229D+02  0.133412D+02
      2  -0.657972D+02 -0.759984D+01 -0.215739D+02 -0.910087D+01 -0.516938D+01
      3  -0.572352D+02 -0.458938D+01 -0.174393D+02 -0.882203D+01 -0.817185D+01
      4   0.106809D+02  0.139283D+02  0.175923D+01  0.199872D+02  0.689879D+00
      5   0.447745D+02  0.254819D+01  0.276827D+02  0.294597D+01  0.660168D+01
      6   0.132002D+01  0.104860D+01  0.898246D+00  0.334286D+01  0.125844D+01
               186           187           188           189           190 
      1   0.278501D+01  0.489911D+02  0.175770D+01  0.262429D+02  0.583959D+00
      2  -0.121959D+01 -0.290927D+02 -0.154416D+01 -0.188000D+02  0.968602D+00
      3  -0.156541D+01 -0.198984D+02 -0.213533D+00 -0.744289D+01 -0.155256D+01
      4   0.660450D+01  0.609619D+00  0.547869D+01  0.603378D+01 -0.889314D+01
      5   0.682307D+01  0.349593D+02  0.675607D+01  0.240763D+02  0.407299D+01
      6   0.327385D+01  0.865335D+00  0.230794D+01  0.872349D+00 -0.202163D+01
               191           192           193           194           195 
      1  -0.939468D+01  0.420604D+01 -0.619049D+01 -0.835485D+01  0.764715D+01
      2   0.461468D+01 -0.275730D+01  0.125916D+01  0.149016D+02 -0.104067D+02
      3   0.478000D+01 -0.144874D+01  0.493133D+01 -0.654677D+01  0.275960D+01
      4   0.705171D+01 -0.219002D+01  0.100343D+02 -0.232322D+02  0.168349D+02
      5  -0.144508D+01  0.552798D+01 -0.282512D+01  0.171281D+02 -0.186846D+02
      6  -0.295113D+00 -0.376849D+00  0.136419D+01 -0.134328D+02  0.157399D+02
               196           197           198           199           200 
      1   0.707221D+01  0.975222D+01 -0.114771D+02 -0.392629D+02 -0.116371D+02
      2  -0.236038D+01 -0.134991D+02  0.612521D+01  0.211313D+02  0.115999D+02
      3  -0.471183D+01  0.374689D+01  0.535187D+01  0.181316D+02  0.371705D-01
      4  -0.866843D+01  0.298678D+02 -0.273546D+02  0.113977D+02 -0.791993D+01
      5   0.853665D+01 -0.273382D+02  0.426012D+02 -0.797040D+01 -0.131522D+01
      6  -0.362591D+01  0.186072D+02 -0.255654D+02  0.786061D+01  0.347319D+01
               201           202           203           204           205 
      1  -0.159266D+02 -0.836344D+01 -0.855623D+01 -0.255772D+01 -0.187698D+02
      2   0.796945D+01  0.678831D+01  0.797661D+01  0.306290D+01  0.890501D+01
      3   0.795719D+01  0.157513D+01  0.579615D+00 -0.505176D+00  0.986480D+01
      4   0.333889D+01  0.171315D+01 -0.279658D+01 -0.140636D+00  0.580643D+01
      5  -0.692538D+01 -0.224891D+00 -0.137011D+01 -0.422491D+01 -0.267569D+01
      6   0.695714D+01  0.237975D+01  0.209556D+01  0.505971D+01  0.401503D+01
               206           207           208           209           210 
      1  -0.510125D+01 -0.132758D+02  0.546543D+02 -0.254064D+02 -0.205799D+02
      2   0.498387D+01  0.675761D+01 -0.191876D+02  0.279858D+01  0.891272D+01
      3   0.117371D+00  0.651823D+01 -0.354667D+02  0.226079D+02  0.116672D+02
      4  -0.507807D+01 -0.444747D+01 -0.491965D+02  0.393497D+02  0.183435D+02
      5  -0.750690D+01 -0.539440D+01 -0.275537D+02  0.140019D+02  0.200295D+02
      6   0.684888D+01  0.491274D+01  0.117748D+02 -0.715323D+01 -0.864889D+01
               211           212           213           214           215 
      1  -0.175615D+02  0.141762D+02  0.540245D+01 -0.267095D+02  0.112941D+02
      2   0.383570D-01  0.312764D+01  0.898328D+00  0.104340D+02  0.478476D-01
      3   0.175232D+02 -0.173038D+02 -0.630078D+01  0.162755D+02 -0.113420D+02
      4   0.329239D+02 -0.302205D+02 -0.129058D+02  0.278424D+02 -0.242159D+02
      5   0.111864D+02 -0.114453D+02 -0.109983D+02  0.247979D+02 -0.189911D+02
      6  -0.690941D+01  0.749727D+01  0.825746D+01 -0.108273D+02  0.110922D+02
               216           217           218           219           220 
      1   0.126131D+02 -0.423619D+02 -0.337401D+01 -0.209481D+02 -0.516814D+01
      2  -0.515073D+01  0.148813D+02  0.139119D+01  0.201048D+01  0.310902D+01
      3  -0.746235D+01  0.274806D+02  0.198282D+01  0.189376D+02  0.205912D+01
      4  -0.217089D+02 -0.777836D+01 -0.508868D+01  0.452187D+00  0.399858D+00
      5  -0.197055D+02  0.200344D+01  0.262978D+01 -0.100831D+02  0.121722D+01
      6   0.922861D+01  0.811530D+00  0.324975D+01 -0.143450D+01  0.150062D+01
               221           222           223           224           225 
      1  -0.461719D+01 -0.187000D+01 -0.218556D+02  0.116993D+00 -0.171603D+02
      2   0.369500D+01 -0.125960D+01  0.604285D+01 -0.129317D+01 -0.182202D+01
      3   0.922196D+00  0.312960D+01  0.158127D+02  0.117618D+01  0.189823D+02
      4   0.510145D+01 -0.265760D+01 -0.182126D+01 -0.288176D+01 -0.230044D+01
      5  -0.209808D+01 -0.539607D+01  0.133488D+01 -0.790835D+00 -0.126899D+02
      6  -0.821191D+00  0.311338D+01 -0.106320D+01  0.256681D+01 -0.110256D+01
               226           227           228           229           230 
      1   0.965464D+01  0.108108D+02 -0.606237D+01  0.145858D+02  0.277722D+01
      2  -0.338186D+01 -0.218555D+01  0.365870D+01 -0.224775D+01  0.213471D+02
      3  -0.627278D+01 -0.862525D+01  0.240367D+01 -0.123381D+02 -0.241243D+02
      4   0.138079D+02  0.178063D+02 -0.986918D+00  0.261410D+02  0.773244D+02
      5  -0.741496D+01 -0.208205D+01  0.589023D+01 -0.696462D+01 -0.105972D+02
      6  -0.185084D+01 -0.267524D+01  0.840126D+00 -0.558648D+01 -0.189331D+02
               231           232           233           234           235 
      1   0.707333D+00 -0.927251D+00  0.308885D+01 -0.451307D+00  0.668869D+02
      2   0.120724D+01  0.163407D+01  0.484280D+00  0.869070D+00 -0.453826D+02
      3  -0.191457D+01 -0.706819D+00 -0.357313D+01 -0.417763D+00 -0.215043D+02
      4  -0.868032D+01  0.187558D+01  0.559657D+01  0.533996D+01 -0.672431D+01
      5   0.111440D+02  0.471136D+01  0.516592D+01  0.766359D-01 -0.562530D+02
      6   0.730559D+01  0.898134D+00  0.579990D+01 -0.743844D+00  0.222799D+01
               236           237           238           239           240 
      1  -0.915711D+01 -0.359886D+02 -0.225632D+02  0.105460D+02  0.112353D+02
      2   0.671506D+01  0.284223D+02  0.157962D+02 -0.523156D+01 -0.107616D+02
      3   0.244205D+01  0.756626D+01  0.676697D+01 -0.531445D+01 -0.473726D+00
      4   0.135707D+02  0.314394D+01  0.147826D+02 -0.477293D+01 -0.819098D+01
      5   0.680808D+01  0.423413D+02  0.206651D+02 -0.102521D+02 -0.210927D+02
      6  -0.498599D+01 -0.867689D+00 -0.560735D+01  0.295355D+01  0.444931D+01
               241           242           243           244           245 
      1  -0.337320D+02  0.352552D+01  0.227036D+02  0.207673D+01 -0.706633D+01
      2   0.284439D+02 -0.447752D+01 -0.262163D+02 -0.473079D+00  0.352891D+01
      3   0.528810D+01  0.952002D+00  0.351276D+01 -0.160365D+01  0.353742D+01
      4   0.335850D+01 -0.578153D+01 -0.589293D+01 -0.111775D+02  0.915222D+01
      5   0.446215D+02 -0.824454D+01 -0.435047D+02  0.574364D+01 -0.482594D+01
      6  -0.159359D+01  0.385639D+01  0.167413D+01 -0.634128D+01  0.302677D+01
               246           247           248           249           250 
      1   0.863946D+00 -0.920612D+01 -0.502126D+01  0.451625D+01 -0.549277D+00
      2  -0.114394D+01  0.355409D+01  0.718162D+01 -0.116239D+01 -0.160301D+01
      3   0.279994D+00  0.565203D+01 -0.216035D+01 -0.335386D+01  0.215229D+01
      4  -0.440606D+01  0.130822D+02 -0.285865D+02  0.137707D+02 -0.533220D+01
      5   0.797379D+01 -0.679753D+01  0.140263D+02 -0.132646D+02  0.118204D+02
      6  -0.190211D+01  0.539314D+01 -0.162077D+02  0.104426D+02 -0.360442D+01
               251           252           253           254           255 
      1   0.206748D+01 -0.311540D+01 -0.317858D+02 -0.131487D+02 -0.480485D+02
      2   0.135944D+01 -0.356012D+01  0.371246D+02  0.119687D+02  0.156681D+02
      3  -0.342691D+01  0.667552D+01 -0.533885D+01  0.118008D+01  0.323804D+02
      4   0.134888D+02 -0.101720D+02 -0.203916D+02  0.270101D+01 -0.133256D+02
      5  -0.978433D+01  0.154678D+02 -0.610444D+02 -0.913558D+01 -0.161513D+02
      6   0.109208D+02 -0.820260D+01 -0.128061D+02  0.112464D+01 -0.269138D+00
               256           257           258           259           260 
      1  -0.214582D+01  0.248625D+01 -0.156156D+02 -0.395904D+02 -0.132893D+02
      2   0.343025D+01 -0.201389D+02  0.977695D+01  0.110438D+02  0.152409D+02
      3  -0.128442D+01  0.176526D+02  0.583863D+01  0.285466D+02 -0.195154D+01
      4   0.124537D+02 -0.642488D+01  0.198697D+02 -0.543151D+01  0.185524D+02
      5   0.286928D+01  0.240166D+02  0.118215D+02 -0.259792D+01  0.380835D+01
      6   0.111274D+02  0.482083D+01  0.185892D+02  0.649405D+01  0.141266D+02
               261           262           263           264           265 
      1   0.106967D+02  0.406102D+02 -0.108296D+02 -0.261888D+02  0.461506D+01
      2   0.504926D+01 -0.263809D+02  0.610915D+01  0.187050D+02 -0.578577D+01
      3  -0.157459D+02 -0.142293D+02  0.472044D+01  0.748387D+01  0.117070D+01
      4   0.933395D+01 -0.196136D+02  0.125732D+02  0.126257D+02  0.635204D+01
      5   0.310634D+01 -0.377828D+02  0.111039D+02  0.324674D+02 -0.495840D+01
      6   0.412058D+01  0.684694D+01 -0.334000D+01 -0.582977D+01 -0.223660D+01
               266           267           268           269           270 
      1   0.214119D+01 -0.444124D+01 -0.319666D+02  0.831183D+01  0.241176D+02
      2  -0.624563D+00  0.536868D+01  0.258071D+02 -0.587309D+01 -0.261156D+02
      3  -0.151662D+01 -0.927441D+00  0.615949D+01 -0.243874D+01  0.199800D+01
      4  -0.681155D+01 -0.488276D+01  0.187437D+02 -0.153335D+02 -0.186681D+02
      5  -0.498339D+01  0.453893D+01  0.474307D+02 -0.163779D+02 -0.537322D+02
      6   0.254810D+01  0.323104D+01 -0.840946D+01  0.646514D+01  0.110575D+02
               271           272           273           274           275 
      1   0.101196D+01  0.751479D+01  0.394160D+01  0.773390D+01 -0.171598D+02
      2   0.115085D+01 -0.676758D+01 -0.802251D-01 -0.471337D+01  0.351836D+02
      3  -0.216281D+01 -0.747212D+00 -0.386137D+01 -0.302053D+01 -0.180238D+02
      4   0.412234D+01  0.549195D+00  0.797103D+00  0.596478D+01  0.290757D+02
      5   0.268509D+01  0.272283D+01  0.107694D+01  0.535457D+01 -0.552163D+01
      6   0.172273D+01 -0.208432D+01 -0.131918D+01  0.595972D+00  0.142386D+02
               276           277           278           279           280 
      1  -0.157949D+00 -0.140995D+01  0.485705D+01 -0.260035D+01  0.684661D+02
      2  -0.692866D+01  0.215288D+01 -0.107724D+02  0.457142D+01 -0.491365D+02
      3   0.708661D+01 -0.742930D+00  0.591532D+01 -0.197107D+01 -0.193296D+02
      4  -0.227066D+01 -0.170628D+01 -0.106252D+02  0.116613D+01  0.289662D+02
      5   0.824495D+01 -0.140722D+01  0.261954D+01 -0.716796D+01  0.674942D+02
      6   0.353009D+01 -0.137489D+01 -0.196022D+01 -0.240757D+01  0.134350D+02
               281           282           283           284           285 
      1   0.768636D+01  0.240160D+02  0.878980D+00  0.514958D+01  0.138577D+01
      2  -0.439600D+01 -0.241839D+02  0.150055D+01 -0.783968D+00  0.843546D-01
      3  -0.329036D+01  0.167907D+00 -0.237953D+01 -0.436561D+01 -0.147013D+01
      4   0.156432D+02  0.144465D+02  0.123728D+02  0.655556D+01  0.489404D+01
      5   0.131372D+02  0.413204D+02  0.264282D+01  0.614347D+01  0.792285D+00
      6   0.919089D+01  0.100253D+02  0.660806D+01  0.316926D+01  0.384542D+01
               286           287           288           289           290 
      1   0.175008D+02  0.211042D+01  0.816515D+01 -0.144216D+02  0.540268D+01
      2  -0.189812D+02 -0.296250D+01 -0.164252D+02 -0.202114D+01 -0.287530D+01
      3   0.148042D+01  0.852073D+00  0.826006D+01  0.164428D+02 -0.252738D+01
      4   0.102801D+02  0.474297D+01  0.684046D+01 -0.287014D+01 -0.262073D+01
      5   0.341480D+02  0.659804D+01  0.283427D+02  0.143112D+01 -0.114087D+01
      6   0.704240D+01  0.434452D+01  0.727592D+01  0.370503D+01 -0.561247D+01
               291           292           293           294           295 
      1   0.273032D+02 -0.158090D+01 -0.569394D+01  0.276373D+01  0.184455D+02
      2   0.210039D+01  0.141708D+00  0.251817D+01  0.232661D+01 -0.134826D+01
      3  -0.294036D+02  0.143919D+01  0.317577D+01 -0.509034D+01 -0.170973D+02
      4   0.281989D+01 -0.590084D+00 -0.329310D+00  0.299041D+00  0.473398D+01
      5  -0.297405D+01 -0.548285D+00 -0.178032D+01 -0.437175D+01  0.461875D+01
      6  -0.748388D+01 -0.320183D+01  0.803059D+00  0.474304D+01 -0.302245D+01
               296           297 
      1  -0.374031D+01 -0.354622D+02
      2   0.548367D-01 -0.122238D+02
      3   0.368547D+01  0.476860D+02
      4   0.173465D+01 -0.228187D+01
      5   0.222849D+01  0.168016D+02
      6   0.656573D+01  0.117549D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.172682D+03      0.255888D+02      0.284714D+02
   aniso      0.756441D+02      0.112093D+02      0.124720D+02
   xx         0.219986D+03      0.325986D+02      0.362708D+02
   yx         0.628452D+01      0.931269D+00      0.103618D+01
   yy         0.156450D+03      0.231835D+02      0.257951D+02
   zx         0.780026D+01      0.115588D+01      0.128609D+01
   zy        -0.858372D+01     -0.127198D+01     -0.141526D+01
   zz         0.141609D+03      0.209844D+02      0.233483D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.172682D+03      0.255888D+02      0.284714D+02
   aniso      0.756441D+02      0.112093D+02      0.124720D+02
   xx         0.184594D+03      0.273540D+02      0.304355D+02
   yx        -0.189483D+02     -0.280785D+01     -0.312416D+01
   yy         0.144095D+03      0.213527D+02      0.237581D+02
   zx        -0.277760D+02     -0.411598D+01     -0.457964D+01
   zy         0.125797D+02      0.186411D+01      0.207411D+01
   zz         0.189356D+03      0.280596D+02      0.312205D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-17\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.70991,0.670807,-0.967581\C,-1.514787,-0.421985,-0.6415
 07\C,0.592878,0.771936,-0.502207\C,1.137615,-0.225982,0.304676\C,0.347
 678,-1.327177,0.619024\C,-0.957714,-1.421755,0.154368\C,-2.940864,-0.5
 08394,-1.117499\C,-3.987455,0.128199,-0.171742\C,-3.779028,1.632708,-0
 .004548\C,-4.041131,-0.569211,1.186803\C,2.555065,-0.110902,0.841195\C
 ,3.512909,0.020089,-0.327512\O,3.916643,1.053908,-0.793769\O,3.856696,
 -1.186888,-0.831471\H,-1.108539,1.453325,-1.601421\H,1.197146,1.626236
 ,-0.780243\H,0.758326,-2.12193,1.230081\H,-1.550996,-2.291094,0.409882
 \H,-3.207271,-1.558295,-1.2639\H,-3.023252,-0.023303,-2.093508\H,-4.95
 6106,-0.021345,-0.6612\H,-3.767687,2.144305,-0.969553\H,-2.833997,1.84
 5956,0.498551\H,-4.580691,2.067606,0.595584\H,-3.105962,-0.437299,1.73
 4311\H,-4.217867,-1.641741,1.078812\H,-4.845765,-0.157244,1.799012\H,2
 .793783,-1.046687,1.348092\C,2.714984,1.060322,1.812332\H,4.422318,-1.
 021428,-1.602212\H,2.519413,2.006373,1.310475\H,3.727494,1.097018,2.21
 6623\H,2.011507,0.951447,2.637725\\Version=ES64L-G16RevA.03\State=1-A\
 HF=-657.0235965\RMSD=8.361e-09\RMSF=1.834e-06\ZeroPoint=0.284504\Therm
 al=0.3000427\Dipole=-0.4500978,-0.5005081,0.1464208\DipoleDeriv=-0.110
 9825,-0.0220751,0.040635,-0.0691576,0.024031,-0.1025873,0.0349117,-0.0
 821564,-0.0418685,0.2885721,-0.0082941,0.0594857,-0.000623,-0.0807984,
 -0.0191721,0.1063002,-0.0235555,-0.0865254,-0.1062411,0.0361355,-0.012
 718,0.0683472,-0.014436,-0.0403733,-0.016995,-0.0454441,-0.0794398,0.2
 628063,0.0779865,0.0766199,0.0402698,-0.0667701,-0.0081457,0.1942299,0
 .0193202,-0.1013775,-0.0913751,-0.0404132,0.0368086,0.0034674,0.038827
 4,-0.0839679,0.0409406,-0.0902973,-0.0441151,-0.1171768,0.072773,-0.01
 20003,0.0977103,0.0276897,-0.0380921,-0.0641793,-0.0611608,-0.0877894,
 0.030446,0.0111207,0.0030761,0.0925576,0.1105083,0.013097,0.1532617,-0
 .0005062,0.1344182,0.1812788,-0.0043232,-0.0067362,-0.0834013,0.157352
 7,-0.0235973,-0.1506445,-0.0106189,0.1192995,0.0547298,-0.0063673,0.00
 37804,-0.0095241,-0.0310124,-0.0220271,0.0544567,-0.0259593,0.074185,0
 .0612781,0.003402,0.0124365,0.0472176,0.0579485,0.0401388,0.0369462,0.
 0380818,-0.0197407,-0.1073383,-0.0387126,0.1359696,-0.1456285,0.094018
 9,0.010305,0.0851649,0.0096829,0.0656278,0.9371726,-0.0281742,-0.48850
 16,-0.0424017,1.5705404,0.1654336,-0.8662449,0.1027153,0.707734,-0.673
 2376,-0.2273702,0.1937912,-0.1730455,-0.9387209,0.0026789,0.3772205,0.
 2189481,-0.5434262,-0.5651051,0.3005229,0.1364243,0.3274601,-0.9897777
 ,-0.2830098,0.2649911,-0.3957914,-0.4770494,0.0368578,0.0401546,-0.068
 8767,0.0461989,-0.0007806,0.078246,-0.0756158,0.0803429,0.0397157,0.04
 64781,-0.0674052,0.0081958,-0.0776575,0.0148034,0.0323465,0.0125482,0.
 0365086,0.0974897,0.0283331,0.0562676,-0.0608408,0.0454977,0.0007694,0
 .0788398,-0.0634796,0.0839454,0.0440979,0.0044744,-0.1002894,0.0014508
 ,-0.1031107,-0.015279,0.0446888,-0.0053468,0.0405612,0.0864497,-0.0364
 221,-0.0061492,-0.018567,-0.0602649,-0.1480384,-0.0629117,-0.0177172,-
 0.0045327,0.0503639,-0.0299459,-0.0099013,0.0144333,0.0170565,0.020637
 8,0.1077662,-0.0418516,0.0545574,-0.1227078,-0.216894,-0.0251688,-0.08
 99441,-0.0007611,-0.0011065,-0.0095751,-0.0493752,-0.013861,-0.0345326
 ,0.0740254,-0.0257389,0.018303,-0.0190801,-0.0220345,0.063035,-0.00314
 04,0.1130217,-0.116607,-0.0622463,-0.0603846,-0.0794931,-0.0314226,0.0
 293972,0.0075804,-0.1104381,0.0007181,0.0093182,-0.0896096,0.0974693,0
 .0890917,0.0613285,0.0032193,-0.0419572,0.1103478,-0.0746208,-0.000530
 4,-0.061037,-0.0177701,-0.1041137,-0.0591609,0.0278396,0.0005595,-0.09
 48259,0.007538,0.009238,0.0750315,-0.012035,-0.0038834,-0.0391593,-0.1
 694536,0.017475,-0.0187131,-0.0295298,0.0281149,-0.0927685,0.0457631,0
 .1171473,0.0888015,0.0347188,-0.057175,0.1035653,-0.0240035,-0.028954,
 0.0327627,-0.0028488,-0.0010955,0.0467746,-0.0779568,0.0400858,-0.0096
 767,0.0253331,-0.003783,-0.002792,-0.0070321,-0.016021,0.0273735,0.028
 3496,0.018559,0.0189183,-0.0311555,0.076762,0.3250878,-0.0336919,0.036
 541,-0.0846439,0.2619976,0.0764976,0.0289794,0.0486173,0.2566731,0.072
 6125,0.0370941,-0.0266942,0.0303288,-0.0381011,0.0167467,-0.0245952,0.
 0814175,0.0167639,-0.1475137,-0.0283051,-0.1092025,-0.0302079,0.045482
 3,-0.035095,-0.09988,-0.0336543,0.0190615,-0.0012615,-0.0062394,0.1144
 975,-0.0111395,0.046134,0.0136069,0.0899369,-0.0144619,-0.0468662\Pola
 r=200.1707332,5.593797,144.7128396,7.0817139,-8.3321009,130.5554752\Qu
 adrupole=0.9371817,-1.9210555,0.9838739,-4.1588102,1.6837153,0.1066615
 \PG=C01 [X(C13H18O2)]\NImag=0\\0.62749729,0.05978573,0.56648817,0.1606
 3663,-0.23472876,0.34096552,-0.17952783,-0.11728618,0.02638082,0.59395
 146,-0.06454086,-0.22628655,0.07033469,0.06799932,0.55221682,-0.005248
 03,0.04829096,-0.09952376,0.11553429,-0.18936343,0.33545335,-0.3073216
 6,0.00148475,-0.09994619,-0.03521463,-0.06369017,0.02031487,0.64319251
 ,-0.05244501,-0.11407233,0.01094308,-0.02515268,0.02202585,-0.01817325
 ,0.12007848,0.57739020,-0.06873529,0.03244668,-0.10702080,-0.00126331,
 -0.03402599,0.02591425,0.13120747,-0.21647036,0.31830989,-0.01543736,0
 .02519626,-0.02347202,0.00191461,-0.00500757,0.00572535,-0.14453876,0.
 06583580,-0.06945307,0.57010686,0.06514495,0.03456826,0.01046021,-0.00
 492549,-0.05642006,0.02734450,0.01426735,-0.21091461,0.09112540,0.0802
 8244,0.55943046,-0.04728037,-0.00558443,-0.00857021,0.00674416,0.02724
 923,-0.01977620,-0.03903601,0.11052729,-0.14976209,0.11419486,-0.18953
 123,0.33159045,-0.05134138,-0.02730764,-0.00238654,-0.01411484,0.06448
 594,-0.04609296,0.05546279,-0.02231570,0.03024079,-0.17731075,-0.06761
 810,-0.00611546,0.62311975,-0.02780904,-0.01915293,-0.00437829,0.02620
 449,0.03401113,-0.00629968,0.01543813,-0.04487000,0.03828809,-0.123990
 16,-0.23664807,0.04803648,0.05974710,0.58206246,-0.00154947,-0.0038839
 8,-0.00559999,-0.02272336,0.00996022,-0.00788733,0.00819772,0.02365104
 ,0.00030567,0.02633651,0.07022018,-0.09486167,0.16146999,-0.23202434,0
 .32753116,0.05518753,0.01523764,0.01030012,-0.14885976,0.01749714,-0.0
 4150465,-0.03995435,0.02058187,-0.02523549,-0.03530303,-0.06526314,0.0
 2116041,-0.30321849,0.00306629,-0.09825440,0.63829890,-0.02052279,-0.0
 4468734,0.02334667,0.07097225,-0.21354208,0.11082416,0.01899382,-0.011
 89300,0.01061357,-0.02490188,0.01974776,-0.01771513,-0.05072854,-0.114
 40762,0.01100525,0.11453864,0.58698525,0.03114673,0.03868301,0.0008036
 3,-0.07217726,0.08881179,-0.14624438,-0.02481785,0.01135410,-0.0233018
 5,-0.00231028,-0.03454899,0.02585364,-0.06705956,0.03287966,-0.1052586
 1,0.13368192,-0.21187817,0.30746010,-0.02247304,-0.00832720,-0.0073775
 7,-0.18039119,-0.00933471,-0.03689277,0.00303277,-0.00237317,-0.000613
 51,-0.00135902,-0.00010504,-0.00024503,0.00381040,-0.00069854,-0.00168
 229,-0.01542965,0.00346429,-0.01179145,0.44722569,-0.02614799,0.002783
 03,-0.00783900,-0.01457749,-0.08842258,0.00299982,-0.00420893,-0.00175
 473,0.00452150,0.00024694,-0.00146312,0.00021583,0.00076238,-0.0018801
 6,0.00431350,0.02236456,0.00511127,0.00725789,0.04010409,0.57405049,0.
 00418732,-0.00118037,0.00595351,-0.04643908,0.00418832,-0.09422952,-0.
 00009351,0.00366160,0.00381780,0.00036618,0.00014057,-0.00119426,-0.00
 267492,0.00527411,0.00348011,-0.02150575,0.00029646,-0.00350764,0.0385
 4177,-0.05350988,0.51685202,0.00088534,0.00166297,-0.00069793,-0.03180
 403,0.01154246,0.01436198,-0.00022818,-0.00055095,-0.00113372,0.000320
 09,0.00013898,0.00025168,-0.00029528,-0.00061825,-0.00106774,0.0006373
 4,-0.00159063,0.00131856,-0.10722898,0.02206808,0.03376672,0.54031466,
 -0.00173942,-0.00146700,-0.00141567,0.00461916,0.00188370,0.00568793,0
 .00051690,-0.00065540,-0.00039221,-0.00025792,0.00029311,-0.00012236,-
 0.00003560,-0.00001564,0.00015305,-0.00027567,0.00042413,-0.00028038,0
 .01604861,-0.08792080,-0.01942049,0.02288481,0.46676674,-0.00135843,-0
 .00103790,-0.00085408,0.00162056,0.00718493,0.01301906,0.00025449,-0.0
 0039017,-0.00042694,-0.00046555,-0.00000493,0.00010693,0.00061666,-0.0
 0025361,-0.00100813,-0.00195432,-0.00013357,-0.00254345,0.02273682,-0.
 01814598,-0.10382621,0.05830817,0.00367085,0.48708211,-0.00078037,0.00
 033786,0.00071930,0.00130187,0.00128591,0.00025735,0.00012806,0.000005
 40,-0.00004731,-0.00014856,0.00003233,-0.00015828,-0.00001878,-0.00001
 409,-0.00003937,-0.00019712,0.00002562,-0.00031880,0.00322488,0.024398
 97,0.00367083,-0.08283643,-0.01676732,-0.00271356,0.56480513,0.0002554
 3,0.00013867,-0.00044185,0.00007422,0.00009143,-0.00008841,0.00010002,
 -0.00024915,0.00003332,-0.00008575,0.00017591,-0.00005559,-0.00010712,
 -0.00013513,0.00001073,-0.00009589,-0.00001042,-0.00003509,0.00327731,
 -0.01896788,-0.00624721,-0.01759553,-0.17534742,-0.01143685,-0.0141368
 9,0.46392371,0.00085988,-0.00069386,-0.00005907,-0.00068720,0.00008392
 ,-0.00018444,-0.00007974,-0.00001805,-0.00043724,-0.00010842,-0.000014
 25,0.00002886,0.00005681,-0.00004849,0.00014064,0.00006092,0.00032638,
 -0.00009495,-0.00101706,-0.02143993,-0.00388094,-0.00368748,-0.0123643
 7,-0.07932250,-0.00479353,-0.01371073,0.56942095,-0.00019783,-0.000263
 08,-0.00014485,0.00096394,-0.00066803,0.00131917,0.00000086,-0.0000248
 1,-0.00001133,-0.00015811,-0.00008321,-0.00009357,0.00008133,-0.000125
 71,-0.00000421,-0.00065348,0.00064421,0.00055476,-0.00180067,-0.010215
 25,0.02353766,-0.07988633,-0.00029000,-0.00047705,0.00011651,-0.003991
 40,0.00516429,0.56596724,0.00007877,-0.00018078,0.00023596,-0.00079246
 ,0.00013889,-0.00035282,0.00011301,0.00005876,0.00010487,0.00000991,0.
 00011846,-0.00004932,-0.00019907,-0.00034275,-0.00012730,0.00083219,0.
 00030699,-0.00049789,-0.00092713,0.00655212,-0.01069966,-0.00056522,-0
 .09831264,0.04054170,-0.00127978,-0.02385691,0.03325236,-0.00349529,0.
 55001823,-0.00010860,-0.00018331,0.00007725,-0.00023592,-0.00021523,0.
 00006661,-0.00002630,0.00014611,-0.00006704,-0.00015943,-0.00005960,0.
 00006114,0.00004629,-0.00008288,-0.00029657,0.00060547,-0.00023373,-0.
 00032879,0.00635535,0.00711369,-0.02438817,-0.00150241,0.04168164,-0.1
 5913807,0.00032340,0.00490330,0.00137789,0.00176805,0.04406237,0.48141
 332,0.00401293,0.00075084,-0.00245441,-0.00095897,-0.00053651,0.000602
 80,-0.01789073,0.00405462,-0.00975657,-0.16192364,-0.01076228,-0.02570
 725,-0.02557859,-0.00449264,-0.00861200,0.00185209,-0.00373858,-0.0011
 9860,-0.00012450,0.00020299,0.00024785,-0.00009152,0.00000911,-0.00001
 408,0.00001688,0.00000193,-0.00001054,0.00001676,-0.00001861,0.0000013
 5,0.43624404,0.00101379,-0.00276129,0.00506003,-0.00060979,-0.00136329
 ,-0.00015887,0.02156451,0.00714070,0.00624843,-0.00245627,-0.08108878,
 0.00892747,-0.02385520,0.00080864,-0.00850255,-0.00274023,-0.00122097,
 0.00389931,0.00028470,0.00003312,-0.00012379,0.00000523,-0.00007341,-0
 .00008847,0.00000628,-0.00003854,0.00003544,-0.00000394,0.00003566,0.0
 0001748,-0.02724162,0.57818186,-0.00132379,0.00440027,0.00250464,0.000
 00826,-0.00007688,-0.00092424,-0.01888693,-0.00095794,-0.00557558,-0.0
 4206949,0.00528581,-0.08463428,0.00379339,-0.00050841,0.00657666,-0.00
 044719,0.00456547,0.00466351,0.00045293,-0.00036962,-0.00055890,0.0000
 3429,0.00006147,0.00013718,0.00000946,-0.00000303,-0.00001539,0.000007
 06,-0.00000212,-0.00002377,0.00427400,-0.05664225,0.47671297,-0.000432
 66,-0.00106042,0.00013908,-0.00002324,0.00064405,-0.00017772,0.0014049
 7,0.00083846,0.00017641,-0.03813416,-0.00679854,0.01805962,-0.00130169
 ,0.00018727,-0.00051439,0.00059419,-0.00088199,-0.00023499,-0.00012018
 ,-0.00015847,-0.00030909,-0.00004049,0.00015650,0.00026202,-0.00002064
 ,-0.00001345,-0.00013376,-0.00003709,-0.00010249,-0.00007939,-0.111174
 37,0.00077462,0.04204316,0.41686591,0.00003045,-0.00112273,0.00100547,
 -0.00022406,-0.00030057,-0.00001444,0.00189060,0.00358477,-0.00090602,
 -0.00531745,-0.00293177,-0.00042827,-0.00083729,-0.00072656,-0.0007973
 4,-0.00077499,-0.00083844,-0.00055973,0.00000606,-0.00017272,0.0000471
 2,-0.00004738,0.00008929,0.00004988,0.00006251,0.00000750,-0.00001209,
 0.00002559,-0.00000867,0.00000537,0.00746397,-0.07502057,0.00088124,0.
 13259508,0.83121977,-0.00001450,0.00006708,-0.00135663,-0.00027625,-0.
 00004615,0.00003375,-0.00382772,-0.00085809,-0.00090836,0.00741159,-0.
 00155103,0.01999807,-0.00535295,0.00124792,-0.00275627,-0.00018866,-0.
 00143899,-0.00097698,-0.00007484,0.00036515,0.00055359,0.00003384,-0.0
 0023415,-0.00042004,0.00000862,-0.00001157,0.00015348,0.00003483,0.000
 11680,0.00007947,0.03196731,0.00819870,-0.14015788,-0.22586415,-0.1372
 4055,0.51982089,0.00002432,-0.00022562,0.00019218,-0.00003721,-0.00018
 603,-0.00005204,-0.00108553,0.00045043,0.00006983,0.00341194,0.0010801
 6,-0.00078258,-0.00035662,-0.00006166,-0.00008632,-0.00017704,0.000089
 29,-0.00020127,0.00004547,0.00004366,0.00017414,0.00004299,-0.00008952
 ,-0.00015394,0.00000275,0.00001193,0.00007990,0.00001337,0.00005733,0.
 00004949,0.00490182,-0.02937611,0.02053752,-0.16893417,-0.17697529,0.1
 0856808,0.13842678,-0.00018851,0.00051198,-0.00091409,0.00019667,0.000
 16293,0.00001967,-0.00023373,-0.00210096,0.00065353,0.00352103,-0.0001
 3864,0.00356983,-0.00134948,0.00070009,-0.00013023,0.00037108,0.000020
 59,-0.00013614,-0.00005342,0.00022036,0.00015210,0.00003311,-0.0001096
 1,-0.00013670,-0.00004270,-0.00000182,0.00004495,-0.00001026,0.0000338
 6,0.00001956,-0.01561131,-0.01126356,0.01274158,-0.18545866,-0.5421775
 5,0.21435128,0.21073956,0.66015435,0.00040661,-0.00003991,0.00071031,0
 .00001200,-0.00021776,0.00007253,0.00015366,0.00153822,0.00015933,-0.0
 0189111,0.00197847,-0.00602533,0.00243411,-0.00059424,0.00104004,-0.00
 020976,0.00040530,0.00040626,0.00004675,-0.00021235,-0.00025901,-0.000
 00650,0.00011164,0.00018850,-0.00000768,0.00000912,-0.00007760,-0.0000
 2687,-0.00005030,-0.00003705,0.02009835,0.02901320,-0.00422748,0.10824
 692,0.20272878,-0.20639444,-0.12550102,-0.23659456,0.18071889,0.000081
 65,-0.00005100,-0.00005865,0.00004922,-0.00010505,-0.00001721,-0.00030
 922,-0.00039532,0.00032654,0.00174276,0.00123453,0.00114241,-0.0001543
 6,0.00045804,-0.00010524,-0.00006366,0.00007862,-0.00013795,0.00002130
 ,0.00008889,0.00015386,0.00003138,-0.00007429,-0.00013695,0.00001085,0
 .00000365,0.00006219,0.00001290,0.00005029,0.00003916,-0.00400015,0.02
 272908,0.01943167,-0.09913015,0.03949535,0.04745893,0.03282801,-0.0064
 3410,-0.00482303,0.24556235,-0.00014831,0.00054513,-0.00007379,0.00010
 497,0.00025549,-0.00008165,0.00041373,-0.00113941,0.00047882,-0.001833
 29,0.00037307,-0.00195993,0.00043985,-0.00037678,0.00049955,0.00053910
 ,0.00037752,0.00042546,0.00002516,-0.00003486,-0.00019052,0.00000478,0
 .00003439,0.00011141,-0.00003639,0.00000061,-0.00004218,-0.00002526,-0
 .00003754,-0.00002796,0.00587060,-0.00352314,-0.00519118,0.02486092,-0
 .20857754,-0.03844510,0.00010021,-0.11167551,-0.00673207,0.00729240,0.
 38487710,0.00020499,0.00035485,0.00037331,0.00011264,-0.00004140,0.000
 08747,0.00062450,-0.00019311,0.00052493,-0.00221672,-0.00103272,-0.003
 78673,0.00088053,-0.00019623,0.00054985,0.00011714,0.00031522,0.000311
 65,0.00002653,-0.00010480,-0.00020781,0.00000737,0.00007041,0.00013845
 ,-0.00002802,0.00000577,-0.00005475,-0.00002999,-0.00004216,-0.0000301
 4,0.01851247,-0.02866254,-0.01347382,0.04894287,-0.06095067,-0.1299554
 1,-0.00427535,0.00189608,0.03550460,-0.27902918,0.00308532,0.41859756,
 -0.09316211,0.06865282,-0.06483352,0.00962691,-0.01289815,0.01014011,-
 0.00745084,0.02315114,-0.01781392,-0.00402585,-0.00256312,-0.00320530,
 -0.00092523,-0.00060590,0.00019810,-0.00097147,-0.00410131,-0.00039098
 ,0.00040258,0.00038902,0.00185502,-0.00020042,-0.00029512,-0.00008706,
 -0.00016615,-0.00004705,0.00041817,0.00000029,0.00003660,-0.00000102,-
 0.00018492,0.00112517,-0.00064381,0.00041076,0.00017609,-0.00048630,-0
 .00013399,-0.00019652,0.00024728,-0.00008261,0.00003033,0.00014515,0.0
 9648053,0.06828232,-0.19658115,0.12453219,0.01048802,-0.01468327,0.015
 32473,-0.00199445,0.00481487,-0.00222694,-0.00185832,0.00306027,0.0020
 8881,-0.00070093,-0.00005670,-0.00051751,-0.00465265,-0.00159060,0.002
 74475,0.00237532,-0.00038278,-0.00049380,-0.00011904,0.00020997,0.0000
 8643,0.00017160,-0.00026850,-0.00020231,0.00011952,-0.00006702,0.00003
 396,-0.00023476,0.00015794,-0.00000787,-0.00007188,0.00010182,0.000098
 69,0.00008664,-0.00001569,-0.00005172,0.00003893,-0.00006825,-0.000074
 03,-0.07329716,0.20595431,-0.06396160,0.12454739,-0.13779081,-0.004933
 59,0.00535893,-0.00170390,-0.00293205,0.00819989,-0.00330694,-0.003634
 42,0.00150754,0.00533109,0.00033460,-0.00047695,-0.00005058,0.00000180
 ,0.00276389,0.00433320,0.00100107,-0.00259289,-0.00177101,0.00050750,0
 .00071416,0.00039683,-0.00006921,0.00012703,0.00017663,-0.00000298,-0.
 00013565,-0.00003907,-0.00005969,0.00053738,-0.00001528,0.00022393,0.0
 0014690,-0.00028349,-0.00003278,-0.00011188,0.00011119,-0.00005138,0.0
 0000812,0.00005152,0.07243950,-0.13816928,0.13819437,-0.01237393,-0.02
 458461,0.00879114,-0.00362239,-0.00005577,-0.00425674,-0.14193189,-0.1
 2454283,0.03314020,0.01113579,0.00953936,-0.00277041,0.00012075,0.0015
 1264,-0.00309097,-0.00049970,0.00070693,-0.00044649,-0.00014574,-0.001
 13199,0.00045442,-0.00002106,-0.00011004,-0.00014780,-0.00005210,-0.00
 001315,0.00002194,-0.00000953,0.00003212,0.00000384,-0.00041382,0.0003
 1002,0.00088532,-0.00018198,0.00219145,-0.00101324,-0.00046476,-0.0009
 1938,0.00057422,0.00001339,-0.00065842,-0.00004738,0.00057805,0.001069
 12,0.00118112,0.14794339,0.00042228,0.00192186,0.00072889,-0.00099207,
 0.00318048,0.00237988,-0.12352716,-0.22587515,0.06498510,-0.01397593,-
 0.01455976,0.00534537,0.00206232,-0.00051636,0.00476081,0.00067861,0.0
 0021816,-0.00016509,0.00021486,-0.00005261,0.00015950,0.00000771,-0.00
 001111,-0.00002021,0.00001380,0.00000338,0.00000837,-0.00000155,0.0000
 0905,-0.00001537,-0.00004212,-0.00057127,-0.00182962,0.00026471,-0.001
 99605,0.00113811,-0.00065859,0.00115093,-0.00095825,0.00005927,0.00047
 558,-0.00002698,0.00056072,-0.00031515,-0.00208188,0.13568470,0.237578
 53,-0.00625735,-0.00940970,0.00612380,-0.00432658,0.00234989,0.0045356
 3,0.03270195,0.06571730,-0.06387268,0.01142345,0.01446885,-0.00055871,
 -0.00337414,0.00444450,0.00201693,-0.00057784,-0.00007972,-0.00075603,
 -0.00000182,-0.00045878,0.00028834,-0.00002006,0.00002363,0.00000086,0
 .00007821,0.00000907,0.00003826,0.00000678,0.00000693,-0.00003373,0.00
 177710,-0.00124692,-0.00166525,-0.00016474,0.00046004,0.00087629,0.000
 18902,-0.00012886,-0.00052402,0.00002576,-0.00034617,-0.00040266,0.001
 53443,-0.00182346,-0.00234968,-0.03305290,-0.07383345,0.05764631,-0.00
 086305,-0.00062492,0.00018625,-0.00414250,-0.00257994,-0.00293264,-0.0
 0081563,-0.00389195,-0.00034971,0.00842601,-0.01285707,0.00923048,-0.0
 9471779,0.07233312,-0.06472373,-0.00717184,0.02364738,-0.01700125,0.00
 011313,0.00105449,-0.00074188,-0.00000931,-0.00006900,-0.00018407,-0.0
 0001558,-0.00001116,0.00003567,-0.00004483,0.00004067,0.00000761,0.000
 92975,-0.00068009,0.00214765,-0.00029821,-0.00041449,0.00007663,0.0000
 7461,0.00018089,-0.00005579,0.00006261,0.00007623,-0.00004875,-0.00007
 000,0.00027085,0.00025329,0.00043001,-0.00073816,0.00042471,0.09800273
 ,-0.00075453,-0.00006218,-0.00060947,-0.00187455,0.00308781,0.00172651
 ,-0.00470878,-0.00182525,0.00251243,0.01118059,-0.01511326,0.01496038,
 0.07125707,-0.20099641,0.12183147,-0.00176594,0.00467138,-0.00209378,-
 0.00009239,0.00011283,-0.00003819,-0.00003205,0.00001507,0.00006626,0.
 00000797,-0.00001616,-0.00002133,0.00006704,-0.00000062,0.00001888,0.0
 0267713,-0.00052939,-0.00108822,-0.00001193,0.00024866,0.00035911,0.00
 019789,0.00025365,-0.00043298,0.00002372,0.00000713,-0.00009177,0.0002
 4635,-0.00025342,-0.00037526,0.00062932,-0.00067022,0.00093625,-0.0765
 7635,0.21075280,0.00015169,-0.00056698,-0.00016310,-0.00379638,0.00175
 232,0.00513357,0.00009111,0.00280230,0.00431123,-0.00448951,0.00563487
 ,-0.00145115,-0.06413382,0.12189289,-0.12917403,-0.00251003,0.00788371
 ,-0.00334611,0.00026575,0.00051156,-0.00008182,-0.00001544,-0.00003109
 ,-0.00004688,-0.00000560,-0.00003212,0.00000120,0.00004632,0.00001970,
 0.00003395,0.00091816,-0.00217549,-0.00259230,0.00015350,0.00077973,0.
 00069172,0.00003491,-0.00021474,-0.00016123,0.00002929,-0.00044272,-0.
 00024718,0.00025812,-0.00042002,-0.00078842,-0.00033586,0.00035175,0.0
 0012722,0.07237556,-0.13523430,0.12960891,0.00048734,0.00147593,-0.003
 16949,0.00931813,0.00953626,-0.00320148,-0.00057209,0.00073532,-0.0003
 6833,-0.00365310,-0.00016348,-0.00425308,-0.01259186,-0.02516252,0.008
 61981,-0.13796676,-0.12378663,0.02881960,0.00015878,0.00134467,0.00118
 989,-0.00008642,0.00010839,-0.00026212,-0.00002903,-0.00002327,0.00001
 951,-0.00012850,0.00038644,0.00024478,-0.00047819,-0.00106658,0.000547
 32,0.00013555,-0.00012723,-0.00066371,-0.00007549,-0.00007087,0.000251
 00,-0.00009465,0.00016904,0.00019125,0.00046960,0.00056083,-0.00022299
 ,-0.00009841,0.00009562,0.00034815,0.00053688,0.00101314,0.00112164,0.
 14493876,0.00217351,-0.00070070,0.00475888,-0.01500756,-0.01532504,0.0
 0467158,0.00085105,0.00008403,-0.00008347,-0.00081043,0.00331587,0.001
 96382,0.00031742,0.00123027,0.00085163,-0.12283737,-0.23010686,0.06079
 941,-0.00025864,-0.00011937,-0.00264367,0.00044954,-0.00012510,0.00066
 154,-0.00005498,0.00001501,-0.00010338,-0.00015316,0.00003192,0.000281
 82,0.00004494,-0.00002577,0.00011896,0.00010651,-0.00000821,-0.0001899
 2,-0.00008499,-0.00005428,0.00007718,-0.00006045,0.00006420,0.00005936
 ,-0.00077506,-0.00078634,0.00039063,0.00008643,-0.00028001,-0.00044133
 ,0.00037883,-0.00015029,-0.00191825,0.13500837,0.24213098,-0.00339309,
 0.00469800,0.00218569,0.00985671,0.01474510,-0.00085401,-0.00040587,-0
 .00013797,-0.00070714,-0.00383845,0.00247356,0.00452658,-0.00613430,-0
 .00959323,0.00528341,0.02886207,0.06067143,-0.05864609,0.00275514,-0.0
 0061093,-0.00187945,0.00010923,-0.00008815,0.00063565,0.00011903,0.000
 05627,-0.00009240,0.00009827,0.00005353,-0.00011967,-0.00048033,-0.000
 26484,0.00023239,0.00001343,0.00010611,-0.00022017,-0.00002799,-0.0001
 3223,0.00008715,-0.00001366,0.00001399,0.00000171,0.00053828,0.0008029
 5,0.00003624,0.00034916,-0.00049065,-0.00072156,0.00145317,-0.00164064
 ,-0.00229230,-0.02929218,-0.06915629,0.05293322,-0.00450090,0.00079356
 ,-0.00318156,-0.01187893,-0.03156132,-0.00371377,-0.00081895,-0.000615
 81,0.00113557,0.00011546,-0.00002664,-0.00009046,-0.00020733,0.0001076
 3,0.00028486,0.00111687,-0.00106780,0.00175498,-0.05978769,-0.05928191
 ,-0.01023550,0.00388742,0.02235598,0.00383053,-0.00296790,0.00123754,0
 .00313860,0.00065387,0.00024223,-0.00089765,0.00004104,-0.00001847,-0.
 00004748,0.00012239,-0.00008264,-0.00016199,-0.00008146,0.00002473,0.0
 0004506,-0.00005871,0.00009268,0.00008467,0.00018224,-0.00006853,-0.00
 030395,-0.00041756,0.00000202,-0.00006416,0.00002458,0.00001842,-0.000
 01018,0.00035260,0.00068099,-0.00065285,0.07324598,-0.00082296,0.00025
 481,-0.00075812,-0.00088527,-0.00169466,0.00070030,0.00046184,-0.00020
 212,0.00039362,0.00019812,0.00058474,-0.00019322,-0.00092223,0.0002567
 4,0.00007142,0.00182248,0.00059438,0.00134128,-0.06134084,-0.28217971,
 -0.02933935,-0.00238159,-0.01518495,-0.00205213,0.00320820,0.00058188,
 -0.00184115,-0.00075772,0.00053645,0.00087621,0.00005123,-0.00003703,-
 0.00011970,0.00009373,-0.00006651,-0.00006631,-0.00003602,0.00002666,0
 .00001960,-0.00003678,0.00006158,0.00004983,0.00018995,0.00020923,-0.0
 0011576,-0.00004566,-0.00002604,-0.00006537,-0.00004087,-0.00002922,-0
 .00006406,0.00001874,0.00028269,-0.00081208,0.06397260,0.30837337,-0.0
 0150852,0.00057013,-0.00037683,-0.00226300,-0.01040524,-0.00137032,0.0
 0024079,-0.00032512,0.00061777,-0.00005977,0.00015253,-0.00020604,0.00
 011332,-0.00012716,-0.00004655,-0.00020369,-0.00068752,0.00067646,-0.0
 1045051,-0.02758929,-0.05299519,-0.00361541,-0.02163332,-0.00469384,0.
 00341786,-0.00045878,-0.00221200,-0.00093664,-0.00110245,0.00096801,0.
 00001163,0.00000385,0.00006077,-0.00000017,0.00002945,-0.00006037,-0.0
 0001337,-0.00002111,0.00002559,-0.00001821,0.00000731,0.00001338,-0.00
 008183,-0.00033026,0.00013355,-0.00008692,-0.00001823,-0.00007531,0.00
 002344,-0.00000371,-0.00000318,-0.00009996,0.00044790,-0.00012698,0.00
 858475,0.03358487,0.05372654,0.00107855,0.00178498,-0.00007781,-0.0059
 9387,0.01570939,-0.02946956,0.00002324,0.00017641,0.00016994,0.0000758
 7,0.00003714,-0.00014210,-0.00062275,0.00137999,0.00010715,-0.00473759
 ,-0.00207913,-0.00145636,-0.04651817,0.00544650,-0.01766826,0.00004819
 ,-0.00963224,0.02102554,0.00056760,-0.00091952,-0.00042294,-0.00296542
 ,0.00264933,0.00232965,-0.00001887,-0.00013168,-0.00000291,0.00011647,
 0.00005796,-0.00020137,-0.00005997,-0.00006538,0.00009631,-0.00005240,
 0.00003283,0.00007110,0.00015248,-0.00082437,0.00029862,0.00003196,-0.
 00001809,0.00002044,-0.00042939,0.00005035,-0.00006892,0.00013689,-0.0
 0017709,-0.00026336,0.00008851,-0.00310198,0.00731657,0.05840297,-0.00
 125082,0.00020492,-0.00096445,0.00106617,0.00023824,-0.00198767,0.0006
 5789,-0.00007767,-0.00022273,-0.00014067,0.00011542,-0.00019967,0.0001
 0674,0.00008545,0.00003138,0.00005290,0.00044720,0.00051797,0.00620863
 ,-0.10138983,0.10296432,-0.00017520,0.00497152,-0.01371318,-0.00021855
 ,0.00116706,-0.00080169,0.00166297,-0.00100390,-0.00138412,-0.00001129
 ,0.00006852,0.00008204,-0.00006684,0.00005429,0.00003679,0.00003056,-0
 .00001393,-0.00002114,0.00001231,-0.00002991,-0.00002876,-0.00010989,0
 .00037001,0.00030351,0.00002851,0.00000855,0.00002806,0.00003338,-0.00
 001878,0.00000054,-0.00010898,0.00042289,-0.00019537,0.00253552,-0.013
 44414,0.02758354,-0.00987207,0.10643471,0.00161664,0.00112904,0.001062
 67,-0.00128469,0.00557742,-0.00909956,-0.00070869,0.00008774,0.0000877
 2,0.00001930,-0.00053468,0.00030307,0.00058381,0.00077769,0.00017194,-
 0.00214016,-0.00091324,-0.00035697,-0.01975337,0.10145007,-0.24703571,
 0.00019810,0.00926226,-0.02098337,-0.00092122,0.00123714,0.00042266,0.
 00385199,-0.00297075,-0.00063500,0.00000186,-0.00013917,-0.00001316,0.
 00010722,0.00004352,-0.00015264,-0.00005275,-0.00005642,0.00008082,-0.
 00004275,0.00002481,0.00005180,-0.00019086,-0.00095902,0.00001186,-0.0
 0001488,-0.00002592,-0.00005290,-0.00014061,-0.00003449,-0.00009776,0.
 00012536,-0.00005823,-0.00003240,0.00080997,-0.00131195,0.00465442,0.0
 1791878,-0.11231670,0.27040460,-0.00016081,0.00000522,-0.00029471,-0.0
 0021393,0.00239347,0.00417274,-0.00000009,-0.00010676,-0.00026932,-0.0
 0005541,0.00005533,0.00006664,-0.00000653,-0.00016571,-0.00026222,-0.0
 0024669,-0.00024002,-0.00017890,-0.02477785,-0.00130375,-0.00781936,-0
 .23999868,-0.03015038,-0.09813266,-0.00419954,-0.00157986,-0.00205738,
 0.00123822,0.00037627,0.00052895,-0.00002753,-0.00006223,0.00005418,0.
 00018783,0.00000674,-0.00026077,-0.00010875,-0.00006514,0.00011488,-0.
 00009328,0.00008010,0.00009492,-0.00003855,0.00002019,0.00013600,-0.00
 004084,-0.00002432,-0.00001530,-0.00005493,0.00001527,-0.00004384,-0.0
 0002884,0.00012881,0.00009804,0.00086171,0.00046643,-0.00043079,0.0006
 3406,-0.00076160,0.00016021,0.26288460,0.00036855,-0.00010209,0.000365
 77,0.00096501,-0.00049152,-0.00236549,0.00002010,0.00021647,0.00012586
 ,0.00005658,-0.00002714,-0.00001986,-0.00004428,0.00005145,0.00007571,
 0.00002760,0.00005919,0.00021423,0.01447767,0.00044910,0.00430080,-0.0
 3006037,-0.05136641,-0.01440117,-0.03093561,-0.00918444,-0.01594462,0.
 01402092,0.00133714,0.00890804,0.00000388,0.00002138,-0.00002227,-0.00
 004343,-0.00002584,0.00006892,0.00002597,0.00003462,-0.00003214,0.0000
 1906,-0.00000768,-0.00001872,0.00003102,0.00002569,-0.00019414,0.00006
 095,0.00000525,-0.00000334,0.00002101,-0.00000144,0.00001619,0.0000047
 4,-0.00003186,-0.00003751,0.00001110,0.00041339,0.00074901,-0.00067380
 ,0.00039038,0.00018200,0.03169630,0.06232219,0.00023724,0.00010314,0.0
 0037279,0.00153611,-0.00204795,-0.00255676,-0.00003657,0.00016678,0.00
 011102,0.00009493,-0.00003040,-0.00001990,-0.00004175,-0.00001507,0.00
 029456,0.00046787,0.00032437,0.00029726,0.02132774,0.00083539,0.006087
 99,-0.09794016,-0.01440970,-0.09535720,-0.00339773,-0.00126754,-0.0017
 1314,-0.02717308,-0.00232137,-0.01767754,-0.00000252,0.00001707,-0.000
 02307,-0.00003376,-0.00001529,0.00006092,0.00002098,0.00002637,-0.0000
 2486,0.00001698,-0.00001147,-0.00001600,0.00001882,0.00000408,-0.00014
 748,0.00005218,0.00000697,0.00000469,0.00007703,-0.00002150,0.00001693
 ,0.00000458,-0.00020976,-0.00010615,-0.00066094,0.00044475,0.00081713,
 -0.00028290,0.00056567,0.00106453,0.10381683,0.01644764,0.11042829,-0.
 00000426,0.00032201,-0.00033789,-0.00003453,-0.00005996,0.00001711,0.0
 0003780,-0.00014367,0.00003554,0.00001118,-0.00000901,0.00003249,0.000
 06849,-0.00003944,0.00003068,-0.00003965,-0.00002420,0.00005432,0.0002
 6706,0.00047670,-0.00058690,-0.00160133,-0.00200121,0.00481297,-0.0475
 4418,-0.00062713,0.00139692,0.00020378,-0.00092354,-0.00029338,-0.0000
 0828,-0.00001324,0.00001326,-0.00002917,0.00002198,0.00002038,0.000022
 04,-0.00000429,-0.00000078,0.00001452,-0.00001791,-0.00000958,-0.00028
 845,-0.00001248,0.00028518,-0.00000964,-0.00000245,-0.00002546,0.00000
 473,-0.00000976,0.00000038,0.00000049,-0.00002074,0.00001835,-0.000099
 71,-0.00005677,0.00002455,0.00014347,0.00008718,0.00001533,0.00002315,
 0.00023157,0.00042138,0.04637087,0.00002301,-0.00022125,0.00017372,0.0
 0010693,-0.00004897,-0.00018878,0.00003661,0.00010315,-0.00004269,-0.0
 0001272,0.00001098,-0.00002188,-0.00005772,0.00005301,-0.00004016,-0.0
 0008472,-0.00008667,-0.00004243,-0.00012768,0.00136689,0.00159899,0.00
 077513,-0.01450931,0.03042822,-0.00068323,-0.10022938,0.10323083,-0.00
 107180,-0.00655334,-0.00273510,0.00000269,0.00001234,-0.00000390,0.000
 01275,-0.00000974,-0.00000703,-0.00001014,0.00000271,-0.00000275,-0.00
 000863,0.00000837,0.00000193,0.00020961,0.00013090,-0.00009230,-0.0000
 0442,0.00000163,0.00000772,-0.00001880,0.00000607,-0.00000308,-0.00002
 309,0.00006988,0.00001787,-0.00037133,0.00040813,-0.00020522,0.0003604
 0,-0.00006230,-0.00103231,-0.00033094,0.00126955,-0.00026353,0.0016416
 4,0.11084818,0.00003459,0.00039066,-0.00041660,0.00007919,0.00002608,0
 .00008486,0.00001778,-0.00015009,0.00008531,0.00001898,0.00002317,0.00
 002728,0.00002451,-0.00005088,0.00005672,-0.00001747,-0.00001739,0.000
 07642,-0.00004119,-0.00032782,0.00056552,0.00037023,-0.00251375,0.0034
 8853,0.00120026,0.10489527,-0.25166669,0.00029587,-0.00025520,0.001107
 83,-0.00000705,-0.00003528,0.00001178,0.00003853,0.00004392,-0.0000547
 6,-0.00001847,-0.00003678,0.00004046,-0.00001320,-0.00000743,0.0000148
 3,0.00006987,-0.00018442,0.00026421,-0.00002283,-0.00000244,-0.0000203
 5,0.00000533,-0.00001026,-0.00000975,0.00001333,-0.00005614,-0.0000006
 1,-0.00006955,0.00003881,0.00025777,-0.00027512,0.00012968,0.00039152,
 0.00036179,0.00061092,0.00051194,-0.00221295,-0.11537555,0.27316799,-0
 .00086206,0.00036056,0.00064695,-0.00015071,0.00077427,0.00020305,-0.0
 0004423,0.00006611,0.00015645,0.00005037,0.00004829,-0.00007318,-0.000
 10426,-0.00003150,-0.00003107,0.00021622,-0.00011810,0.00024615,-0.000
 02378,0.00009584,0.00044271,-0.00421317,-0.00230767,-0.00236146,-0.242
 22242,-0.04136117,-0.10466645,0.00032166,0.00045805,-0.00009728,0.0000
 0629,0.00000689,-0.00001577,-0.00000556,-0.00003057,0.00002309,0.00000
 994,0.00002398,-0.00000594,0.00000320,0.00001023,0.00000394,-0.0002281
 0,0.00022883,0.00003188,0.00003022,-0.00000295,-0.00002243,0.00001140,
 -0.00001292,0.00000233,0.00000160,-0.00001653,-0.00002021,0.00003022,-
 0.00014195,-0.00008214,-0.00000217,-0.00001660,0.00002760,0.00118288,-
 0.00087664,0.00031173,0.00125970,0.00092903,0.00085633,0.26458642,0.00
 046229,0.00003440,-0.00015867,0.00041625,-0.00015718,-0.00040481,0.000
 17621,0.00001547,0.00007229,0.00005739,0.00010426,-0.00004158,-0.00011
 461,-0.00004962,-0.00000833,0.00016008,-0.00011266,0.00022942,-0.00041
 430,0.00123044,0.00022702,-0.03100818,-0.00688583,-0.01574597,-0.04009
 772,-0.05556715,-0.02063547,-0.00043464,0.00190752,-0.00124430,-0.0000
 0027,-0.00001358,0.00002283,0.00007403,0.00003031,-0.00009418,-0.00004
 610,-0.00004264,0.00004447,-0.00003368,0.00001207,0.00002663,0.0000302
 8,0.00000239,0.00005967,-0.00002188,-0.00000285,0.00001506,-0.00000276
 ,0.00000084,-0.00001336,-0.00001237,0.00001910,-0.00002289,0.00007786,
 0.00019933,0.00027461,0.00006836,-0.00010591,-0.00001312,-0.00081615,-
 0.00672992,-0.00072927,0.01351506,0.00234594,0.00599532,0.04638540,0.0
 6183724,-0.00002433,-0.00007726,0.00034916,-0.00032438,-0.00009303,-0.
 00010196,0.00028083,0.00014946,0.00025820,0.00009666,0.00017921,-0.000
 13347,-0.00027902,-0.00002388,-0.00014648,0.00028839,-0.00017306,0.000
 17540,-0.00066195,0.00006471,-0.00004239,-0.00339989,-0.00116647,-0.00
 292270,-0.10341442,-0.02147121,-0.10289921,0.00109391,0.00029398,0.000
 65547,0.00001638,0.00001322,-0.00000257,0.00009039,-0.00003925,-0.0000
 9138,-0.00006129,-0.00000373,0.00002977,-0.00004556,0.00004882,0.00003
 895,0.00012356,0.00002833,-0.00063718,0.00002688,-0.00000745,0.0000052
 6,-0.00001538,0.00002197,0.00000414,-0.00000183,0.00007264,-0.00003819
 ,0.00016694,0.00001501,0.00008298,-0.00003400,0.00002221,0.00004546,0.
 00035111,-0.00078869,0.00078071,-0.02535598,-0.00562009,-0.01311882,0.
 11501105,0.02460597,0.10814495,-0.00021550,0.00005115,0.00019625,0.000
 07255,-0.00005054,0.00005041,0.00018952,0.00009531,0.00019560,0.000086
 74,0.00013129,-0.00007436,-0.00019420,-0.00002514,-0.00008353,0.000175
 74,-0.00014209,0.00014223,0.00068599,-0.00117772,-0.00032681,0.0035777
 2,-0.00299332,-0.00334552,-0.18972221,0.07529425,0.10586925,0.00004145
 ,-0.00020025,-0.00012959,0.00001061,-0.00000365,0.00000387,0.00009457,
 -0.00000191,-0.00009863,-0.00006397,-0.00002778,0.00003863,-0.00004535
 ,0.00003077,0.00003194,0.00000547,0.00011055,-0.00027361,0.00000091,-0
 .00000834,0.00000462,-0.00001782,0.00001503,-0.00000783,0.00000587,0.0
 0003606,-0.00001771,0.00015059,-0.00016806,-0.00008922,-0.00006323,-0.
 00004917,0.00005789,0.00084038,0.00053399,-0.00010139,0.00024146,-0.00
 108588,-0.00053292,-0.02022545,0.01060571,0.01615286,0.20405019,-0.000
 15611,-0.00010425,0.00035159,-0.00115172,0.00013066,-0.00020705,0.0001
 3406,0.00007608,0.00006388,0.00005651,0.00010574,-0.00008818,-0.000165
 47,-0.00003697,-0.00001724,0.00029152,-0.00000628,0.00023421,-0.002147
 52,-0.00631450,0.00050342,0.02559197,-0.01348902,-0.01805003,0.0737490
 1,-0.08457276,-0.05385756,0.00091704,0.00135554,-0.00109036,0.00000636
 ,0.00002744,-0.00002048,-0.00003326,-0.00002374,0.00005305,0.00002141,
 0.00002547,-0.00002398,0.00001846,-0.00000523,-0.00001108,-0.00000162,
 0.00008623,-0.00019130,0.00002947,0.00000555,0.00000842,0.00002149,-0.
 00000739,0.00001208,-0.00000409,0.00000095,-0.00006333,0.00136098,-0.0
 0099112,-0.00131020,-0.00020829,0.00027124,0.00002094,-0.00030692,0.00
 143915,-0.00007964,-0.01191413,0.00583250,0.00732271,-0.00401395,0.001
 78119,0.00416578,-0.08121627,0.09423777,0.00004545,0.00027400,-0.00018
 810,-0.00031145,0.00008957,0.00004081,0.00001992,-0.00006767,0.0001193
 2,0.00005091,0.00003326,0.00000490,-0.00003689,-0.00001827,-0.00001569
 ,0.00015172,-0.00002898,0.00016158,-0.00090217,-0.00103353,0.00039932,
 0.00256049,-0.00150404,-0.00370316,0.10590927,-0.05478454,-0.12544493,
 -0.00047554,0.00073683,0.00050263,0.00000647,0.00000096,-0.00000827,-0
 .00004223,-0.00000350,0.00005086,0.00002901,0.00001500,-0.00001994,0.0
 0002228,-0.00001438,-0.00001518,-0.00008879,-0.00009307,0.00005809,0.0
 0000995,0.00000173,-0.00001367,0.00001379,-0.00000783,0.00000742,0.000
 00414,0.00000399,-0.00002250,0.00043767,-0.00039183,0.00009701,-0.0001
 8233,0.00013982,0.00050236,-0.00011574,-0.00004432,-0.00016117,0.02149
 146,-0.01143145,-0.01534269,-0.01116114,0.00673612,0.00914433,-0.11720
 633,0.06138451,0.13343884,0.00024813,0.00020238,0.00003689,-0.00038929
 ,-0.00012930,0.00077860,-0.00010611,-0.00000097,-0.00005157,0.00003993
 ,-0.00010778,0.00000411,-0.00002683,0.00011275,0.00014249,-0.00089072,
 0.00053900,0.00058998,0.00004399,0.00039299,0.00013423,0.00133572,0.00
 058970,-0.00066649,0.00049117,-0.00000165,0.00026545,-0.23932420,-0.02
 927561,-0.11051873,0.00000341,0.00000286,-0.00001538,-0.00000356,-0.00
 001341,0.00002458,0.00000736,0.00001478,-0.00000459,0.00000688,0.00000
 090,0.00000020,0.00000353,-0.00001109,-0.00002040,0.00000970,0.0000067
 2,-0.00000447,0.00003421,-0.00002362,-0.00000535,-0.00025340,-0.000122
 64,0.00013115,-0.00001536,0.00002839,0.00002300,0.00005112,-0.00001522
 ,-0.00020813,0.00130686,0.00003516,0.00064709,0.00021320,0.00014403,0.
 00010069,0.00020229,0.00051886,-0.00017900,-0.00013396,-0.00001475,-0.
 00007029,0.26100508,0.00012753,0.00000029,-0.00005756,-0.00038604,0.00
 022810,-0.00010962,-0.00016946,-0.00006287,-0.00006109,0.00001603,-0.0
 0012380,0.00004723,0.00015938,0.00004477,0.00017831,-0.00008707,0.0002
 8570,0.00002853,-0.00022143,0.00018643,-0.00071253,0.01414371,0.001017
 45,0.00755021,0.00133768,0.00125763,0.00008664,-0.02889118,-0.05218566
 ,-0.01667636,-0.00000495,-0.00001708,0.00000883,0.00004942,0.00001721,
 -0.00005084,-0.00003206,-0.00002862,0.00002509,-0.00001762,0.00000290,
 0.00001216,-0.00000692,-0.00004094,0.00003629,-0.00001012,0.00000246,0
 .00001995,0.00002258,-0.00000168,-0.00000392,0.00006712,-0.00045789,-0
 .00031111,-0.00007090,0.00000371,0.00007840,0.00009578,-0.00003079,-0.
 00008074,0.00003245,-0.00091635,0.00313697,-0.00019457,0.00015055,-0.0
 0026826,-0.00043961,-0.00006495,-0.00005732,0.00005651,-0.00006395,0.0
 0001016,0.03132479,0.05298060,0.00037254,0.00031238,0.00003875,0.00010
 001,-0.00030321,-0.00022600,-0.00024447,0.00000909,-0.00012853,0.00005
 635,-0.00022638,0.00011175,0.00030237,0.00007494,0.00023924,0.00027501
 ,0.00003346,0.00014219,-0.00085901,-0.00025544,0.00083246,-0.02757736,
 -0.00375453,-0.01648194,-0.00012499,-0.00155602,0.00113073,-0.10864289
 ,-0.01616572,-0.10884135,-0.00000418,-0.00003690,0.00002713,0.00011334
 ,-0.00000021,-0.00013232,-0.00006956,-0.00003485,0.00005519,-0.0000539
 3,0.00004090,0.00004494,-0.00002453,-0.00006090,0.00002066,-0.00000214
 ,-0.00000520,0.00000521,-0.00000943,0.00002079,-0.00000720,0.00005231,
 -0.00026868,-0.00011980,0.00005573,0.00004984,-0.00005062,0.00015384,0
 .00010638,0.00029267,0.00074299,0.00318071,-0.00516599,0.00034651,-0.0
 0020510,0.00013046,0.00042682,0.00077049,0.00046517,0.00010125,0.00009
 471,-0.00000174,0.12152328,0.01569537,0.12038928,-0.00002046,0.0000600
 1,0.00002990,-0.00002980,0.00008911,-0.00001535,0.00009722,0.00004608,
 -0.00001228,0.00002144,0.00004265,0.00000338,0.00005294,0.00012354,-0.
 00011420,-0.00010211,-0.00052986,0.00009887,0.00015696,-0.00083278,-0.
 00023540,-0.00175548,-0.00033902,-0.00007809,0.00039854,0.00004505,0.0
 0044146,-0.05448646,-0.04122152,-0.00470402,0.00000362,0.00002191,-0.0
 0000474,-0.00003270,-0.00001659,0.00003333,0.00002295,0.00002191,-0.00
 001657,0.00001131,0.00000140,-0.00000549,0.00001433,0.00003155,-0.0000
 2294,0.00000611,0.00000246,-0.00000829,-0.00000784,-0.00002055,-0.0000
 1561,-0.00025083,0.00033980,0.00011251,0.00004928,0.00013899,0.0002104
 3,-0.00000470,0.00014470,-0.00005956,0.00015699,0.00037075,0.00033882,
 0.00057362,-0.00014529,-0.00007374,0.00027172,0.00041753,0.00003071,0.
 00015511,-0.00036866,-0.00018443,-0.00376748,-0.02807412,-0.00265351,0
 .05377032,0.00003895,0.00003319,0.00008088,0.00001780,0.00010927,0.000
 14048,0.00005602,0.00007813,-0.00001617,0.00001855,0.00001678,0.000021
 08,0.00001560,0.00015183,-0.00007929,-0.00008214,-0.00051440,0.0001075
 9,0.00015410,0.00034553,-0.00104432,-0.00229474,-0.01492608,-0.0028435
 2,0.00037474,0.00004053,0.00427423,-0.04152850,-0.29404818,-0.02837417
 ,0.00001147,0.00000280,-0.00001253,0.00001708,-0.00004277,-0.00001575,
 -0.00000560,0.00002490,-0.00000019,-0.00001488,0.00003338,0.00001836,0
 .00003648,0.00002782,-0.00007127,0.00001446,-0.00000346,-0.00001005,-0
 .00001450,-0.00000845,-0.00001306,0.00005513,0.00029629,-0.00005880,-0
 .00036909,0.00073616,0.00052916,0.00021763,0.00032700,0.00004832,0.000
 54722,0.00042846,0.00014402,-0.00030028,-0.00112350,0.00000360,0.00003
 352,0.00027588,-0.00014003,-0.00001466,0.00042453,-0.00008690,-0.00056
 890,-0.00338610,-0.00076620,0.04547128,0.32219130,-0.00006702,0.000072
 10,-0.00007045,0.00012318,-0.00009874,-0.00007106,-0.00002717,-0.00000
 296,0.00000752,-0.00000252,-0.00000895,0.00001346,0.00004552,0.0000084
 7,0.00000755,0.00001639,-0.00013700,-0.00001116,-0.00012532,0.00080455
 ,0.00166888,0.00585964,0.02992262,0.00405324,0.00017447,0.00173215,-0.
 00568740,-0.00515126,-0.02996861,-0.05071226,-0.00000114,-0.00001298,0
 .00000552,0.00002419,0.00000129,-0.00002975,-0.00001355,-0.00000636,0.
 00001380,-0.00001380,0.00001057,0.00001032,-0.00001491,0.00000236,0.00
 002846,-0.00001055,-0.00000231,-0.00000757,-0.00001916,-0.00000015,-0.
 00000822,0.00017826,0.00005249,0.00007022,0.00008701,-0.00057730,-0.00
 030469,-0.00041546,-0.00014329,0.00024274,-0.00031958,-0.00064391,0.00
 121673,0.00024610,0.00198676,0.00017461,0.00019263,-0.00006582,-0.0000
 5064,-0.00027697,-0.00004422,0.00001560,-0.00126879,-0.01565611,-0.002
 35769,0.00487804,0.02972916,0.05425708,0.00017240,0.00015133,-0.000041
 31,0.00026012,0.00006458,0.00003244,-0.00016627,-0.00002138,-0.0000819
 1,0.00005047,-0.00013154,0.00007943,0.00017647,0.00009405,0.00018672,-
 0.00018608,0.00005758,0.00012822,0.00092713,-0.00043070,-0.00019419,-0
 .00080783,0.00021775,-0.00080313,-0.00009439,0.00032176,-0.00024644,-0
 .18989458,0.07359596,0.10646113,0.00000095,-0.00003226,0.00001605,0.00
 009740,0.00001163,-0.00010679,-0.00006264,-0.00003703,0.00004434,-0.00
 004608,0.00002644,0.00003106,-0.00000081,-0.00002633,0.00002582,-0.000
 01307,-0.00000633,0.00000587,-0.00001220,0.00001156,-0.00001476,-0.000
 03625,-0.00022729,-0.00006188,-0.00001525,0.00013741,-0.00001669,-0.00
 003550,0.00015633,0.00006390,0.00079157,-0.00037578,0.00024093,0.00018
 882,-0.00020032,-0.00020721,-0.00013466,0.00005747,0.00008774,0.000316
 05,-0.00051193,0.00001641,-0.02011269,0.01118233,0.01566962,0.00468255
 ,-0.00188486,-0.00409783,0.20397621,-0.00006205,-0.00000533,-0.0000083
 0,0.00034340,0.00004120,0.00012145,0.00009053,-0.00001425,0.00002234,0
 .00001244,0.00008763,-0.00001392,-0.00007200,0.00009953,-0.00008811,0.
 00007552,-0.00047849,0.00002736,-0.00022413,-0.00138298,0.00233237,-0.
 01230558,0.00467803,0.00806305,-0.00075546,0.00104449,0.00041247,0.074
 57618,-0.08583613,-0.05574810,0.00000958,0.00001689,-0.00001046,-0.000
 03499,0.00000328,0.00003917,0.00002239,0.00000890,-0.00001677,0.000017
 00,-0.00001254,-0.00001248,0.00000713,0.00001583,0.00000740,0.00000103
 ,0.00000158,-0.00000404,-0.00000429,-0.00001396,-0.00000678,-0.0000282
 6,0.00025262,-0.00001235,0.00001448,0.00034351,0.00019899,-0.00034224,
 0.00060252,0.00059044,0.00007243,0.00043114,-0.00079144,0.00007628,0.0
 0022366,-0.00019363,-0.00003756,-0.00007111,-0.00001396,0.00020159,-0.
 00017843,0.00008703,-0.00362477,0.00120295,0.00324363,0.02417864,-0.01
 148827,-0.01695689,-0.08220715,0.09042797,0.00036730,0.00020133,0.0001
 6935,-0.00114611,0.00000754,-0.00006479,-0.00016412,0.00003680,-0.0000
 6987,0.00005347,-0.00015239,0.00007150,0.00014866,0.00007096,0.0001161
 7,-0.00011567,0.00014661,0.00017033,-0.00101266,0.00404369,-0.00478622
 ,0.02299036,-0.01199963,-0.01746463,0.00015180,-0.00141664,0.00094073,
 0.10538403,-0.05470255,-0.12397541,0.00000190,0.00000726,-0.00001578,-
 0.00003814,-0.00001556,0.00005852,0.00002685,0.00002252,-0.00002428,0.
 00002321,-0.00001153,-0.00001493,-0.00000788,-0.00005833,-0.00003121,0
 .00002139,0.00000883,0.00000245,0.00003211,-0.00001019,0.00000844,-0.0
 0006832,-0.00013245,-0.00006642,-0.00029782,0.00014079,0.00038448,0.00
 144427,-0.00055706,-0.00130879,-0.00046951,-0.00074081,0.00089421,-0.0
 0044323,-0.00013377,0.00018014,-0.00004730,0.00010545,0.00000756,-0.00
 027818,0.00083565,0.00039012,-0.01138185,0.00713653,0.00959717,0.00202
 343,-0.00156056,-0.00247178,-0.11721205,0.05872973,0.13730132,0.000270
 03,0.00129455,-0.00082406,0.00010985,-0.00023246,0.00016315,-0.0054319
 1,-0.00213275,-0.00119980,-0.01060976,0.02697568,-0.01763731,0.0014589
 2,0.00208485,-0.00074953,-0.00019110,-0.00002206,-0.00000940,-0.000013
 60,-0.00008146,0.00004652,0.00001099,-0.00000190,-0.00001654,-0.000002
 61,0.00000662,0.00000286,-0.00000776,0.00000489,-0.00000525,-0.0572119
 4,0.04785775,-0.02394346,0.00577870,-0.02055270,0.01085418,-0.00489119
 ,-0.00075490,0.00374194,-0.00072640,0.00044780,-0.00023129,-0.00042413
 ,-0.00001817,-0.00014398,0.00010329,0.00003610,0.00016712,-0.00018068,
 -0.00110292,0.00048920,0.00004563,0.00002173,0.00005918,-0.00003236,-0
 .00001115,-0.00000581,0.00001804,-0.00001424,0.00001867,-0.00000631,-0
 .00000048,0.00000473,0.00000669,-0.00000720,0.00000846,0.00000481,-0.0
 0000129,-0.00001004,-0.00000641,-0.00000046,0.00000422,0.00000396,0.00
 000789,-0.00000219,-0.00000521,-0.00000754,-0.00000162,0.00000015,-0.0
 0000242,0.00000326,0.07011411,-0.00029757,-0.00004208,-0.00003030,-0.0
 0008112,0.00018034,-0.00011846,-0.00054402,0.00060525,-0.00005938,-0.0
 0009345,0.00105432,-0.00033001,-0.00243573,0.00045430,-0.00112582,0.00
 029226,0.00023214,-0.00005671,-0.00001223,0.00002360,-0.00003676,-0.00
 000262,-0.00000093,0.00001258,-0.00000646,0.00000014,-0.00000788,0.000
 00422,-0.00000122,-0.00000291,0.04910040,-0.23747679,0.10672778,-0.000
 55814,-0.00645119,0.00215359,0.00000273,0.00174355,0.00115299,0.001278
 44,0.00092064,-0.00207170,0.00002883,-0.00001877,-0.00005258,-0.000056
 39,0.00002346,-0.00012497,0.00013011,0.00054235,-0.00010471,0.00003609
 ,-0.00001669,-0.00000096,0.00001045,0.00000615,0.00000544,-0.00000833,
 -0.00000623,0.00000359,0.00000818,0.00000157,-0.00000238,-0.00000239,0
 .00000205,-0.00000251,0.00000097,-0.00000126,0.00000673,0.00000426,-0.
 00000135,-0.00000180,-0.00000140,-0.00000265,0.00000636,-0.00000043,0.
 00000402,0.00000199,0.00000365,-0.00000269,-0.00000176,-0.05000756,0.2
 6088699,0.00017525,0.00067707,-0.00008449,0.00005799,-0.00018964,0.000
 19842,-0.00242736,-0.00059511,0.00048668,-0.00471733,0.00966056,-0.006
 71783,0.00175453,0.00052435,0.00033066,-0.00020858,-0.00020208,-0.0001
 7209,-0.00000208,-0.00003801,0.00005623,0.00000189,-0.00000501,-0.0000
 1560,-0.00000430,0.00000467,0.00000130,-0.00000033,0.00000658,-0.00000
 045,-0.02393612,0.10177958,-0.10752888,-0.00947200,0.02540957,-0.01159
 302,0.00587953,0.00039354,-0.00344731,0.00111592,-0.00173115,0.0005286
 7,-0.00013176,-0.00007098,-0.00016919,0.00021548,-0.00015295,-0.000031
 63,-0.00019780,-0.00047363,0.00051612,0.00001763,-0.00001748,-0.000037
 86,-0.00002199,-0.00000530,-0.00000116,0.00001752,0.00000355,0.0000045
 5,-0.00000856,0.00000327,0.00000300,0.00000455,-0.00000282,0.00000270,
 0.00000309,-0.00000500,-0.00000665,-0.00000602,0.00000061,0.00000326,0
 .00000195,-0.00000156,-0.00000392,-0.00000019,-0.00000239,-0.00000062,
 -0.00000390,-0.00000025,0.00000237,0.02774443,-0.11175839,0.11751465,0
 .00020185,0.00017056,0.00098750,-0.00020019,-0.00058086,-0.00001127,-0
 .00029641,-0.00087140,-0.00048870,-0.00734448,-0.02642240,-0.02213422,
 -0.00164212,0.00114532,-0.00164844,-0.00134698,0.00058770,0.00107470,0
 .00009059,0.00006926,0.00011519,0.00002173,-0.00008015,-0.00014011,-0.
 00003749,-0.00001589,0.00003603,-0.00004520,0.00004291,0.00000491,-0.0
 7293662,-0.00869085,-0.00713574,0.00363848,0.01740004,0.01423604,-0.00
 110394,0.00113324,0.00041172,-0.00383979,0.00078542,0.00459436,0.00002
 016,0.00003215,-0.00006819,-0.00007627,-0.00004863,-0.00035138,0.00022
 196,-0.00051578,-0.00045681,-0.00026418,-0.00005015,-0.00001484,-0.000
 04567,-0.00004270,-0.00000536,-0.00005940,0.00002721,-0.00005846,-0.00
 007082,0.00002696,0.00003915,0.00001427,-0.00000440,-0.00000228,0.0000
 2567,-0.00002064,-0.00003005,-0.00003131,0.00002230,0.00001184,0.00002
 106,-0.00001999,-0.00004123,0.00002122,0.00000043,-0.00000305,-0.00003
 800,0.00000939,0.00001828,0.00078813,0.00459992,0.00454786,0.57641493,
 -0.00069209,-0.00031960,-0.00000787,0.00027631,0.00050910,0.00002486,0
 .00237494,-0.00024841,0.00084471,-0.00973776,-0.00220437,-0.00489846,0
 .00071631,0.00011546,-0.00023112,0.00005152,-0.00005571,0.00031130,-0.
 00000052,-0.00009071,-0.00016569,0.00002417,0.00004968,0.00008442,0.00
 001876,0.00000642,-0.00000770,0.00000237,-0.00001924,0.00000020,-0.004
 81311,-0.14113870,-0.04404619,0.00822155,0.00260413,-0.00751845,-0.001
 28162,-0.00229983,0.00227792,-0.00237638,0.00120716,0.00148083,0.00009
 554,-0.00005997,-0.00004827,0.00004037,-0.00005668,0.00044507,0.000152
 50,0.00004106,-0.00021545,0.00006447,0.00002310,0.00003820,0.00001884,
 0.00000382,0.00001189,0.00002291,0.00000104,0.00003065,0.00004201,-0.0
 0002009,-0.00001826,0.00000210,0.00000089,0.00001134,-0.00001167,0.000
 01739,-0.00000547,0.00000372,-0.00001286,-0.00000684,-0.00000850,0.000
 00239,0.00001207,-0.00000158,0.00000041,0.00000601,0.00001030,-0.00000
 086,-0.00001039,-0.00298636,-0.02216506,-0.02101276,-0.00831594,0.5068
 2639,0.00031025,0.00013630,0.00047974,0.00005804,-0.00045434,0.0002089
 0,0.00016518,-0.00057289,0.00044744,-0.00973042,-0.01092901,-0.0104541
 8,0.00175907,0.00105872,-0.00091601,-0.00055925,0.00012855,-0.00016881
 ,-0.00002072,0.00000442,0.00004512,-0.00003038,-0.00000016,0.00001482,
 0.00002552,0.00000573,-0.00000423,0.00004259,-0.00000021,0.00000537,-0
 .00487117,-0.04475621,-0.11603884,0.00164283,-0.02156900,-0.02589656,-
 0.00094860,-0.00281247,0.00225216,0.00259862,-0.00012506,-0.00279767,0
 .00006342,-0.00000768,-0.00000058,-0.00014250,0.00001915,-0.00027592,-
 0.00008123,-0.00017028,0.00022571,-0.00004040,0.00006769,0.00007088,0.
 00001260,0.00000346,0.00000691,0.00002160,0.00000642,-0.00001091,0.000
 00809,-0.00000003,-0.00001222,-0.00001368,0.00000453,-0.00001798,-0.00
 001011,-0.00000503,0.00002527,0.00001198,-0.00000467,-0.00000304,-0.00
 001592,0.00000944,0.00001044,-0.00001175,-0.00000434,-0.00000647,0.000
 00864,-0.00000236,-0.00000692,0.00194337,0.00966652,0.01072668,-0.0104
 9984,-0.05936152,0.52859263,-0.00010714,0.00004010,-0.00007432,-0.0000
 5156,0.00007082,-0.00004583,0.00011197,-0.00007774,-0.00010680,0.00080
 161,-0.00020311,-0.00066890,0.00000105,-0.00019422,-0.00004702,0.00007
 118,-0.00001205,0.00008975,-0.00000614,-0.00001656,-0.00004184,-0.0000
 2594,0.00002548,0.00004454,0.00000644,-0.00000478,-0.00001956,0.000006
 09,-0.00001724,-0.00001358,0.00475563,0.00340585,0.00203911,-0.0099538
 9,0.00422124,0.01879120,-0.00279075,-0.00503462,-0.00448533,-0.1723145
 4,-0.03810311,0.21173122,-0.00000841,0.00000156,0.00001806,-0.00003849
 ,0.00008969,0.00005525,-0.00000371,0.00002691,-0.00001798,0.00000769,0
 .00001999,0.00001612,0.00001132,0.00000482,0.00000761,0.00000502,0.000
 00366,0.00000654,0.00002844,-0.00000681,-0.00000685,-0.00000842,0.0000
 0569,0.00000071,-0.00000498,0.00001195,0.00001859,0.00002006,-0.000008
 45,-0.00001057,-0.00000570,0.00000821,0.00001959,-0.00000683,0.0000024
 1,0.00000456,0.00001981,-0.00000722,-0.00001116,0.00023650,-0.00053055
 ,-0.00027026,-0.00096057,-0.00050695,0.00062117,0.18016562,-0.00001383
 ,-0.00005191,0.00002980,0.00001951,-0.00000843,-0.00002241,-0.00000991
 ,0.00010444,0.00005839,-0.00002857,-0.00008556,-0.00007362,0.00001853,
 0.00003352,0.00000947,-0.00001536,-0.00001053,-0.00001658,0.00000966,0
 .00001386,0.00002747,0.00000426,-0.00001022,-0.00002299,0.00000426,0.0
 0000190,0.00001061,0.00000353,0.00001052,0.00000895,0.00055205,-0.0051
 8401,-0.00127538,0.03194713,0.00944756,-0.04233458,-0.00441545,0.00069
 391,0.00634344,-0.06499874,-0.06432737,0.08769853,0.00000003,0.0000109
 5,-0.00000361,0.00008243,-0.00009714,-0.00001120,0.00003010,0.00002573
 ,-0.00001276,-0.00002485,-0.00001265,0.00000824,-0.00001843,-0.0000154
 1,0.00000112,-0.00000840,0.00000835,-0.00000531,-0.00001927,0.00000277
 ,0.00000264,0.00000562,-0.00000245,0.00000199,-0.00000153,-0.00000537,
 -0.00001378,-0.00001018,0.00000156,0.00000428,0.00000029,-0.00000406,-
 0.00001197,0.00000252,-0.00000611,-0.00000198,-0.00000929,0.00000386,0
 .00000336,-0.00023610,0.00016344,0.00003683,0.00083966,0.00048368,-0.0
 0100995,0.03634809,0.05916232,-0.00005529,-0.00007483,-0.00000399,0.00
 000046,0.00002227,-0.00005436,0.00004290,0.00004797,0.00008751,0.00046
 263,0.00009964,-0.00041009,0.00005940,0.00004757,0.00004549,0.00002998
 ,0.00001223,0.00003146,0.00000770,0.00000277,0.00002501,-0.00000476,-0
 .00000624,-0.00001268,0.00000702,-0.00000129,0.00000978,0.00000749,0.0
 0000420,0.00000447,0.00114371,-0.00298687,0.00221555,0.01980739,-0.004
 50983,-0.02231884,-0.00485437,0.00686329,0.00055389,0.21111238,0.05018
 620,-0.30480544,-0.00002188,0.00002054,0.00000074,0.00007693,-0.000051
 87,0.00004973,0.00001351,0.00000176,-0.00002863,-0.00000980,-0.0000038
 8,0.00001319,-0.00001429,-0.00001071,0.00000268,-0.00001239,0.00001248
 ,-0.00000970,-0.00001292,0.00000154,0.00000081,0.00000156,0.00000164,-
 0.00000329,-0.00000287,-0.00000316,-0.00000683,-0.00000372,-0.00000019
 ,0.00000069,-0.00000312,-0.00000293,-0.00000653,0.00000193,-0.00000170
 ,-0.00000036,-0.00000320,0.00000169,-0.00000026,-0.00047898,-0.0001903
 9,0.00063613,0.00057839,0.00000369,0.00010901,-0.22781717,-0.04920635,
 0.32408799,-0.00023384,0.00000907,0.00001684,0.00001953,0.00014798,-0.
 00006836,-0.00005155,-0.00009152,-0.00002726,0.00062295,-0.00044982,0.
 00092681,-0.00026764,-0.00013397,0.00003055,0.00020825,-0.00004137,0.0
 0004125,-0.00000392,0.00000380,-0.00003381,0.00000469,-0.00000315,0.00
 001759,-0.00002097,0.00000066,-0.00001681,-0.00000385,-0.00000187,-0.0
 0000530,-0.00041900,-0.00319244,0.00176946,0.00050417,0.00206552,-0.00
 068195,-0.00037935,-0.00085767,0.00000947,0.00009991,-0.00079387,-0.00
 005215,0.00002293,-0.00001692,-0.00001301,0.00001579,-0.00012667,-0.00
 053838,-0.00001441,0.00007139,-0.00001536,0.00001122,0.00001241,0.0000
 0816,0.00000879,0.00000814,0.00000010,0.00000301,-0.00000484,0.0000042
 1,0.00001274,0.00000456,-0.00000077,-0.00000048,0.00000210,0.00000256,
 0.00000249,-0.00000155,0.00000905,0.00000843,-0.00000102,-0.00000234,0
 .00000159,-0.00000258,0.00000896,0.00000039,0.00000568,0.00000243,0.00
 000554,-0.00000357,-0.00000159,0.00054477,-0.00068812,-0.00035696,-0.0
 5595489,0.04246688,-0.02343396,-0.00005952,0.00007983,0.00007631,0.056
 23864,-0.00056288,0.00016208,-0.00014722,0.00007612,0.00037617,-0.0002
 5128,-0.00010812,-0.00014232,0.00060869,0.00159184,0.00107423,0.000781
 56,-0.00063762,-0.00028585,0.00011497,0.00043613,0.00000855,0.00020137
 ,-0.00000204,0.00002688,-0.00005017,0.00000484,-0.00000568,0.00000720,
 -0.00001188,-0.00000444,-0.00000952,-0.00000176,-0.00000327,-0.0000052
 7,0.00477591,-0.02483634,0.01030156,-0.00158315,-0.00219113,0.00237945
 ,0.00004735,0.00239000,0.00007718,0.00019138,0.00071921,-0.00024033,-0
 .00003669,-0.00000571,0.00000630,0.00008177,0.00036062,-0.00050258,0.0
 0005524,0.00014368,-0.00010131,0.00000189,-0.00001577,-0.00002213,0.00
 000645,0.00000411,-0.00000301,-0.00001009,-0.00000667,0.00000086,0.000
 00562,0.00000211,-0.00000026,-0.00000122,0.00000209,-0.00000037,0.0000
 0034,-0.00000032,0.00000594,0.00000541,-0.00000017,-0.00000111,0.00000
 171,-0.00000113,0.00000769,0.00000047,0.00000425,0.00000200,0.00000495
 ,-0.00000247,0.00000091,-0.00076080,-0.00238043,-0.00400670,0.04215858
 ,-0.24615213,0.10819328,0.00008758,-0.00000951,-0.00011211,-0.04584011
 ,0.27040018,-0.00016433,0.00007103,-0.00015556,0.00006243,0.00024011,-
 0.00006892,0.00007446,-0.00050756,0.00007361,0.00070560,0.00069850,0.0
 0106615,-0.00035405,-0.00010044,0.00007891,0.00022254,-0.00005182,0.00
 013855,0.00000256,0.00000923,-0.00003499,-0.00000164,0.00001705,0.0000
 1067,0.00002000,-0.00000461,0.00000466,0.00000248,-0.00000751,0.000000
 44,0.00390298,-0.02063908,0.01040922,0.00048335,-0.00087906,0.00114898
 ,0.00005153,0.00025489,-0.00089741,-0.00019190,0.00070909,0.00031321,-
 0.00000601,-0.00002024,-0.00000930,-0.00048876,-0.00013770,-0.00060890
 ,0.00005161,0.00004048,-0.00006811,0.00000580,-0.00000094,-0.00000258,
 0.00000820,-0.00000235,-0.00000186,-0.00000281,-0.00000157,0.00000450,
 0.00000492,-0.00000923,-0.00000378,-0.00000452,-0.00000015,-0.00000168
 ,-0.00000737,0.00000800,0.00000333,0.00000528,-0.00000172,-0.00000289,
 -0.00000234,0.00000809,0.00000192,-0.00000357,-0.00000498,-0.00000114,
 0.00000554,0.00000046,-0.00000201,-0.00033588,-0.00379231,-0.00288107,
 -0.02426194,0.11177664,-0.10654656,0.00007426,0.00005702,-0.00014498,0
 .02710334,-0.11724527,0.11493698,-0.00001055,-0.00012205,0.00003829,0.
 00004912,-0.00007440,0.00003934,0.00033392,-0.00039123,0.00012782,0.00
 032584,-0.00076652,-0.00050548,0.00039706,0.00027700,-0.00035261,-0.00
 017753,0.00012555,-0.00005425,-0.00000417,0.00003145,0.00005741,0.0000
 1305,-0.00002939,-0.00005362,0.00001114,0.00000224,0.00002602,0.000009
 46,0.00001763,0.00001729,-0.00110560,0.00039357,0.00020304,-0.00007728
 ,-0.00077648,0.00074340,0.00050860,0.00060676,-0.00007391,0.00015259,0
 .00004387,-0.00029807,-0.00001615,0.00002277,0.00000120,-0.00005086,0.
 00001474,0.00008399,-0.00001186,-0.00002169,0.00001184,-0.00002637,-0.
 00000713,0.00001193,-0.00002108,-0.00001245,-0.00000831,-0.00002037,0.
 00000225,-0.00001609,-0.00003345,0.00000597,0.00000610,0.00000289,-0.0
 0000347,-0.00000709,0.00000221,-0.00001373,-0.00001518,-0.00001904,0.0
 0000719,0.00000809,0.00000284,-0.00000374,-0.00002153,0.00000259,-0.00
 000623,-0.00000671,-0.00001932,0.00000682,0.00000812,0.00024735,-0.000
 56517,-0.00000572,-0.27546785,-0.00524270,-0.08938228,0.00000738,-0.00
 003846,-0.00006620,-0.00505192,0.00009613,-0.00127269,0.29783360,-0.00
 032519,0.00015088,0.00024667,-0.00002576,0.00003849,-0.00015095,-0.000
 21880,-0.00011911,0.00020151,0.00115650,-0.00344277,-0.00312608,-0.000
 67218,0.00015957,-0.00033814,-0.00007121,0.00013725,0.00032890,0.00002
 357,0.00002855,0.00001851,0.00001769,-0.00003768,-0.00005282,-0.000023
 49,-0.00000454,0.00000936,-0.00001228,0.00001751,0.00000296,-0.0245509
 4,-0.00167325,-0.01050213,-0.00067715,0.00070313,0.00063657,-0.0000177
 1,0.00016185,-0.00017151,0.00013789,-0.00022398,0.00016800,-0.00004854
 ,0.00001844,-0.00001615,0.00010023,0.00002614,-0.00046035,0.00005283,-
 0.00011657,-0.00009994,-0.00007487,-0.00002920,-0.00002189,-0.00002234
 ,-0.00001271,-0.00000972,-0.00002771,0.00000193,-0.00002055,-0.0000269
 4,0.00001345,0.00001334,0.00000466,-0.00000155,-0.00000227,0.00000772,
 -0.00001290,-0.00000861,-0.00000996,0.00000905,0.00000555,0.00000909,-
 0.00000789,-0.00001245,0.00000642,0.00000093,-0.00000235,-0.00001277,0
 .00000219,0.00000905,-0.00019010,0.00085075,0.00096584,-0.00402056,-0.
 04734617,-0.00142512,-0.00006344,0.00000983,-0.00001255,0.02670161,0.0
 0186357,0.00932706,0.00620538,0.04996234,0.00023441,0.00005451,0.00009
 900,-0.00005013,-0.00031343,0.00007917,-0.00029258,-0.00015970,0.00003
 368,0.00029347,-0.00359939,-0.00161971,-0.00028235,0.00026504,-0.00047
 958,-0.00047344,0.00010040,0.00007866,0.00001635,0.00002953,0.00005974
 ,0.00001296,-0.00003517,-0.00005610,-0.00001685,-0.00000302,0.00001544
 ,-0.00001648,0.00001903,0.00000502,-0.01871681,0.00028490,-0.00894891,
 -0.00198426,-0.00106364,0.00068320,0.00100208,0.00089442,0.00013156,0.
 00011171,0.00029975,0.00005071,-0.00002071,0.00001263,-0.00003763,0.00
 003898,0.00005232,0.00015334,0.00006838,-0.00010619,-0.00007035,-0.000
 09442,0.00000352,0.00002078,-0.00001865,-0.00001126,-0.00000238,-0.000
 02200,0.00000732,-0.00002003,-0.00003126,0.00001168,0.00001430,0.00000
 832,-0.00000206,-0.00000002,0.00000930,-0.00000929,-0.00001675,-0.0000
 1482,0.00000905,0.00000693,0.00000667,-0.00001267,-0.00001932,0.000010
 80,0.00000166,-0.00000077,-0.00001742,0.00000506,0.00000805,0.00041534
 ,0.00020895,0.00082582,-0.08737855,-0.00204069,-0.08279086,-0.00004562
 ,-0.00005322,-0.00007417,-0.01404994,-0.00086694,-0.00579175,0.0985021
 8,0.00581596,0.08684529,-0.00012061,0.00002244,0.00007466,0.00000207,0
 .00005096,-0.00001235,0.00021339,0.00003018,0.00003704,0.00074209,0.00
 024579,-0.00092313,0.00024739,-0.00010373,0.00013751,0.00002648,0.0000
 5816,0.00004361,0.00000156,-0.00002027,-0.00003542,-0.00000040,0.00000
 996,0.00002266,-0.00000540,-0.00000195,-0.00000856,-0.00000391,-0.0000
 0454,-0.00000887,0.00175140,0.00067243,-0.00373431,-0.00002021,-0.0015
 2977,-0.00101221,0.00046386,0.00054800,0.00013562,0.00030649,0.0001367
 7,-0.00013688,0.00000834,-0.00000368,0.00000722,0.00004269,-0.00004298
 ,-0.00004156,0.00000899,0.00001462,-0.00000650,0.00002735,0.00000782,0
 .00000679,0.00000596,0.00000391,0.00000229,0.00000635,-0.00000091,0.00
 000485,0.00001340,-0.00000219,-0.00000280,-0.00000012,0.00000215,0.000
 00204,0.00000224,0.00000514,0.00000728,0.00000906,-0.00000312,-0.00000
 288,-0.00000273,0.00000096,0.00001043,0.00000069,0.00000335,0.00000400
 ,0.00000998,-0.00000314,-0.00000282,-0.00000056,0.00039116,0.00023366,
 -0.15971787,-0.01863039,0.13049926,0.00009076,-0.00009910,-0.00006877,
 0.00412549,-0.00007335,-0.00568903,-0.01778624,-0.00333161,0.02279533,
 0.16955200,0.00027243,0.00012384,-0.00012108,0.00002561,-0.00016193,0.
 00008224,-0.00030705,-0.00008144,0.00010403,0.00107123,0.00092442,0.00
 071835,0.00008784,0.00017931,0.00017277,-0.00017075,-0.00006540,-0.000
 08657,-0.00001309,-0.00000516,0.00000370,-0.00001210,0.00002118,0.0000
 1153,0.00002367,-0.00000164,0.00000100,0.00000526,-0.00001074,-0.00000
 175,0.01646929,0.00134950,-0.02250765,-0.00328901,-0.00541942,-0.00120
 770,0.00049500,0.00160131,0.00035000,0.00137962,0.00006422,-0.00144380
 ,-0.00001406,-0.00000243,0.00001413,-0.00004663,0.00006065,0.00000956,
 0.00002266,-0.00009438,0.00001648,-0.00000509,0.00000623,-0.00001189,0
 .00001113,0.00000275,0.00000215,0.00001048,-0.00000118,0.00000610,0.00
 000793,-0.00000969,-0.00000438,-0.00000640,-0.00000102,-0.00000299,-0.
 00000910,0.00000950,0.00000929,0.00000933,-0.00000266,-0.00000274,-0.0
 0000482,0.00001325,0.00000498,-0.00000638,-0.00000608,-0.00000261,0.00
 000989,-0.00000027,-0.00000339,0.00038715,0.00087227,0.00080520,-0.019
 35069,-0.04970172,0.02390610,0.00041281,-0.00034746,-0.00015459,-0.019
 32858,-0.00149440,0.02018887,0.00021553,-0.00112755,0.00020096,0.02164
 691,0.05330614,0.00006248,-0.00001862,-0.00003464,-0.00004818,-0.00008
 990,0.00001314,-0.00043450,0.00054124,-0.00017381,0.00130825,0.0007371
 0,0.00108700,-0.00034566,-0.00009934,0.00023176,-0.00013542,-0.0000727
 3,-0.00006642,-0.00001113,-0.00001506,-0.00000643,0.00000790,0.0000001
 8,0.00000467,-0.00003152,-0.00000348,-0.00001634,-0.00002845,-0.000003
 26,-0.00001481,0.01234816,0.00242795,-0.01711368,-0.00151937,-0.002733
 92,-0.00045046,0.00024022,-0.00044749,-0.00006206,0.00108168,-0.000515
 81,-0.00140014,0.00000125,-0.00000860,-0.00001691,0.00008720,-0.000121
 21,0.00009624,0.00002521,-0.00003210,-0.00004885,-0.00000626,0.0000008
 2,-0.00001083,0.00000566,0.00000815,0.00000187,0.00000928,-0.00000430,
 0.00000898,0.00001054,0.00000395,0.00000745,0.00000702,-0.00000006,0.0
 0001235,0.00000963,0.00000688,-0.00000091,0.00000512,0.00000063,-0.000
 00109,0.00000601,-0.00000558,0.00000758,0.00000612,0.00000767,0.000006
 33,0.00000485,-0.00000283,0.00000038,-0.00007148,-0.00007386,0.0008545
 7,0.12807450,0.02223533,-0.19727330,0.00014449,-0.00022643,0.00000602,
 0.00927087,0.00087664,-0.01096764,-0.00774631,-0.00131568,0.01081763,-
 0.14233818,-0.02105629,0.21450235\\0.00000118,-0.00000128,0.00000005,0
 .00000117,-0.00000055,-0.00000024,0.00000069,0.00000064,0.00000233,-0.
 00000606,-0.00000304,-0.00000364,0.00000477,-0.00000052,-0.00000178,-0
 .00000361,0.00000022,-0.00000092,0.00000028,0.00000069,-0.00000201,-0.
 00000242,-0.00000126,0.00000104,0.00000138,0.00000385,0.00000066,-0.00
 000064,0.00000014,0.00000231,0.00000606,0.00000465,0.00000754,-0.00000
 025,0.00000167,-0.00000320,-0.00000083,-0.00000140,0.00000076,-0.00000
 022,-0.00000214,-0.00000131,-0.00000091,0.00000148,0.00000038,-0.00000
 064,0.00000012,-0.00000002,-0.00000093,0.00000030,-0.00000016,0.000000
 87,0.00000055,-0.00000017,-0.00000035,0.00000016,-0.00000002,-0.000000
 33,0.00000098,0.00000191,0.00000021,-0.00000024,-0.00000061,-0.0000007
 4,-0.00000027,0.00000070,0.00000025,-0.00000129,0.00000026,0.00000037,
 -0.00000034,0.00000051,0.00000068,0.00000028,-0.00000067,-0.00000024,-
 0.00000008,-0.00000008,0.00000007,-0.00000008,-0.00000045,-0.00000064,
 0.00000042,-0.00000068,0.00000126,-0.00000421,-0.00000310,-0.00000091,
 0.00000047,-0.00000005,0.00000105,0.00000010,0.00000050,-0.00000042,-0
 .00000042,0.00000017,-0.00000016,0.00000042,-0.00000003\\\@


 THE LENGTH OF A MEETING IS PROPORTIONAL TO THE
 SQUARE OF THE PARTICIPANTS.
 Job cpu time:       1 days  3 hours 12 minutes 57.9 seconds.
 Elapsed time:       0 days  3 hours 24 minutes 18.1 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 15:53:58 2021.
